SCHEMBL3549370

SCHEMBL3549370

COc1ccc(C(=O)SC)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 3/20 0.44
SIRT1 Q96EB6 1/20 0.43
ROCK2 O75116 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
ESRRA P11474 1/20 0.42
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 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
SCHEMBL79042 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGPBAR1CYP3A4
SCHEMBL615379 0.82 CA12 (0.62) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL29638900 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGPBAR1CYP3A4
SCHEMBL2470879 0.81 NOTUM (0.62) ALDH1A1MAPTLMNASIRT1ROCK2
SCHEMBL1190600 0.81 CYP2C9 (0.44) ALDH1A1MAPTLMNASIRT1ROCK2
SCHEMBL628125 0.81 MAPK1 (0.54) ALDH1A1MAPTLMNAGPBAR1CYP3A4
SCHEMBL3548152 0.81 GPBAR1 (0.46) ALDH1A1MAPTLMNASIRT1ROCK2
SCHEMBL12336977 0.80 THRA (0.45) ALDH1A1MAPTLMNASIRT1ROCK2
SCHEMBL3547710 0.80 MAPT (0.49) ALDH1A1MAPTLMNACYP3A4CYP2C9
SCHEMBL26054745 0.79 RARA (0.44) ALDH1A1MAPTLMNASIRT1ROCK2

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-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885MAPT 3703/4885LMNA 3400/4885

“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.