SCHEMBL477562

SCHEMBL477562

O=C(Cl)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
CES2 O00748 3/20 0.50
DDR1 Q08345 3/20 0.43
ACP1 P24666 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CES1 P23141 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30253392 1.00 NOTUM (0.62) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL322157 0.86 CES2 (0.67) NOTUMCES2HDAC3HDAC8HDAC6
SCHEMBL494019 0.82 NOTUM (0.64) NOTUMCES2DDR1ACP1TAS2R14
SCHEMBL766077 0.81 NOTUM (0.67) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL627581 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL979130 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL31144857 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL27856957 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL28056419 0.80 NOTUM (0.57) NOTUMCES2DDR1ACP1TMPRSS4
SCHEMBL30972868 0.79 NOTUM (0.60) NOTUMCES2DDR1ACP1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
CN-112702917-B Pesticidally active azole-amide compounds 先正达参股股份有限公司 2023-02-21 CN disclosed
US-20210298306-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-30 US disclosed
EP-3849312-A2 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-07-21 EP disclosed
CN-112702917-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-04-23 CN disclosed
WO-2020053365-A2 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-03-19 WO disclosed
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2015-06-04 US disclosed
EP-2681194-B1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed
WO-2007136323-A1 A NOVEL PROCESS SUITABLE FOR LARGE-SCALE PRODUCTION OF PHENYL PROPAN DERIVATIVES OF FORMULA I ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US 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 (6 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 NOTUM 4641/4885CES2 3332/4885DDR1 2409/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 NOTUM 1356/4885CES2 444/4885DDR1 1482/4885
US-20070270487-A1 Novel process and intermediates 085 CYP3A5, AGPAT5, CYP4F8 NOTUM 136/4885CES2 1104/4885DDR1 3969/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 NOTUM 4641/4885CES2 3332/4885DDR1 2409/4885
US-20210298306-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 NOTUM 503/4885CES2 1127/4885DDR1 4652/4885
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 NOTUM 2642/4885CES2 4156/4885DDR1 2849/4885

“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.