SCHEMBL19736115

SCHEMBL19736115

CC(C)C(=O)NCc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ GPR88 Q9GZN0 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HSPA9 P38646 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSPA5 P11021 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ STAMBP O95630 1/20 0.41
▸ COPS5 Q92905 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41

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
SCHEMBL13115971 0.86 CTSK (0.39) ADORA2ACTSKGPR88KDM4EHSPA9
SCHEMBL17152395 0.82 MMP9 (0.43) CTSKGPR88KDM4EHSPA9MMP9
SCHEMBL2070480 0.81 NPSR1 (0.46) CTSKKDM4EFDPSNPSR1SMN1; SMN2
SCHEMBL8041336 0.80 CYP2C19 (0.40) CTSKGPR88KDM4EFDPSSMN1; SMN2
SCHEMBL8052740 0.79 MEN1 (0.42) ADORA2ACTSKGPR88KDM4EHSPA9
SCHEMBL8053649 0.79 MEN1 (0.42) ADORA2ACTSKGPR88KDM4EHSPA9
SCHEMBL2936249 0.79 KDM4E (0.46) CTSKKDM4EFDPSSMN1; SMN2ALDH1A1
SCHEMBL1197194 0.78 RAB9A (0.45) CTSKKDM4EFDPSSMN1; SMN2ALDH1A1
SCHEMBL13870634 0.78 SMN1; SMN2 (0.46) CTSKKDM4EFDPSSMN1; SMN2ALDH1A1
SCHEMBL18773805 0.78 RAB9A (0.47) ADORA2ACTSKKDM4ESMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
US-20210122739-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2021-04-29 — — US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 (4 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ADORA2A 1741/4885CTSK 1261/4885GPR88 2248/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ADORA2A 1741/4885CTSK 1261/4885GPR88 2248/4885
US-20210122739-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, PYCARD, NOD1 ADORA2A 1182/4885CTSK 865/4885GPR88 614/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA2A 3184/4885CTSK 2361/4885GPR88 2546/4885

“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.

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