SCHEMBL3590995

SCHEMBL3590995

NCc1nc(C(=O)O)co1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
P2RY2 P41231 1/20 0.38
ALDH1A1 P00352 1/20 0.36
FBP1 P09467 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
PTPN1 P18031 1/20 0.33
PTGER1 P34995 1/20 0.33
KLKB1 P03952 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM5A P29375 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15001323 0.84 ALDH1A1 (0.47) ALDH1A1FBP1TSHRHDAC6PTGER1
SCHEMBL9926019 0.82 FPR2 (0.39) ALDH1A1FBP1HDAC6KLKB1HRH3
SCHEMBL742811 0.82 CES1 (0.39) CES1P2RY2ALDH1A1FBP1ALOX15
SCHEMBL16011738 0.81 CES1 (0.39) CES1P2RY2ALDH1A1FBP1ALOX15
SCHEMBL1811036 0.80 CES1 (0.38) CES1P2RY2ALDH1A1FBP1ALOX15
SCHEMBL1972922 0.80 CES1 (0.38) CES1P2RY2ALDH1A1FBP1ALOX15
SCHEMBL16259514 0.80 NOTUM (0.32)
SCHEMBL1760523 0.80 HCAR2 (0.39) CES1P2RY2ALOX15TSHRKDM4E
SCHEMBL744062 0.80 CES1 (0.38) CES1P2RY2ALDH1A1FBP1ALOX15
SCHEMBL2172653 0.78 DAGLA (0.42) FBP1ALOX5APFEN1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 EP disclosed
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
EP-3118189-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA Phenex Pharmaceuticals AG (DE) 2017-01-18 EP disclosed
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
EP-2882710-B1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2016-09-07 EP disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 EP disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
US-20060161007-A1 Oxazole and thiazole combinatorial libraries M MARTIN LENORE 2006-07-20 US disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO disclosed
EP-1169311-A4 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2004-09-15 EP disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 EP disclosed
WO-2000056724-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 WO disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES OXA1L, SPOUT1, BCAT2 CES1 3402/4885P2RY2 3915/4885ALDH1A1 3668/4885
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CES1 1356/4885P2RY2 1912/4885ALDH1A1 1466/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 CES1 3402/4885P2RY2 3915/4885ALDH1A1 3668/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CES1 732/4885P2RY2 1021/4885ALDH1A1 1474/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC CES1 347/4885P2RY2 714/4885ALDH1A1 671/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.