SCHEMBL7210736

SCHEMBL7210736

[CH2]C(C)SCc1nccn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FDPS P14324 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 2/20 0.40
HSP90AB1 P08238 1/20 0.40
HSP90B1 P14625 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL7215488 0.81 HSP90AA1 (0.52) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7215496 0.81 HSP90AA1 (0.52) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10130694 0.78 HSP90AA1 (0.52) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10615902 0.78 ALDH1A1 (0.54) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL156000 0.76 HSP90AA1 (0.56) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
Methane SCHEMBL15121694 0.74 HSP90AA1 (0.55) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL20191167 0.74 HSP90AA1 (0.55) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1723554 0.74 HSP90AA1 (0.57) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL955143 0.74 HSP90AA1 (0.57) HSP90AA1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5292839 0.73 HSP90AA1 (0.61) HSP90AA1HSD17B10HSP90AB1HSP90B1

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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 US disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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 (1 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 HSP90AA1 2822/4885ALDH1A1 3218/4885CYP1A2 1025/4885

“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.