SCHEMBL8515872

SCHEMBL8515872

CC(=O)NCCS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PAOX Q6QHF9 3/20 0.41
ADRA1A P35348 1/20 0.40
F13A1 P00488 1/20 0.36
LOX P28300 1/20 0.36
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
NQO2 P16083 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLP1R P43220 1/20 0.34
TXNRD1 Q16881 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL30777459 0.98 KDM4E (0.48) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12122396 0.87 PAOX (0.44) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL8067563 0.86 KDM4E (0.58) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL24129441 0.81 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL468761 0.80 KDM4E (0.56) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL1449314 0.80 CYP2D6 (0.37) L3MBTL1
SCHEMBL12267542 0.78 KDM4E (0.48) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL20445185 0.78 LOXL2 (0.31)
SCHEMBL2780184 0.78 KDM4E (0.54) KDM4EMAPK1HIF1ATSHRALDH1A1
Calcium SCHEMBL2590651 0.78 KDM4E (0.54) KDM4EMAPK1HIF1ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321124-A1 ROR gamma t Inhibitors and Topical Uses Thereof DERMIRA, INC. 2023-10-12 US disclosed
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 US disclosed
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
WO-2020210828-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. (US) 2020-10-15 WO disclosed
WO-2020063976-A1 FUSED HETEROCYCLIC BIARYL BENZYL ALCOHOL COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-04-02 WO disclosed
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-02-25 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 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 (8 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 3956/4885MAPK1 35/4885HIF1A 2110/4885
US-10570094-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX KDM4E 1656/4885MAPK1 3513/4885HIF1A 2241/4885
US-20230321124-A1 ROR gamma t Inhibitors and Topical Uses Thereof RORC, RORB, RORA KDM4E 1405/4885MAPK1 3588/4885HIF1A 2175/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 KDM4E 1465/4885MAPK1 3171/4885HIF1A 358/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG KDM4E 1710/4885MAPK1 3997/4885HIF1A 3185/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A KDM4E 786/4885MAPK1 2233/4885HIF1A 3161/4885
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 KDM4E 2876/4885MAPK1 3035/4885HIF1A 2908/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A KDM4E 786/4885MAPK1 2233/4885HIF1A 3161/4885

“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.