SCHEMBL201681

SCHEMBL201681

COc1cc(C(=S)N2CCC[C@@H]2C(=O)NO)cc(C(F)(F)F)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.47
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FKBP5 Q13451 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3547844 1.00 FKBP1A (0.47) FKBP1AMMP2ANPEPALDH1A1KMT2A
SCHEMBL3547625 0.94 MMP2 (0.45) FKBP1AMMP2ANPEPALDH1A1KMT2A
SCHEMBL3547622 0.94 MMP2 (0.45) FKBP1AMMP2ANPEPALDH1A1KMT2A
SCHEMBL3543320 0.90 FKBP1A (0.56) FKBP1AMMP2ANPEPALDH1A1KMT2A
SCHEMBL3543322 0.90 FKBP1A (0.56) FKBP1AMMP2ANPEPALDH1A1KMT2A
SCHEMBL3543733 0.87 ALDH1A1 (0.43) FKBP1AALDH1A1KMT2AMEN1LMNA
SCHEMBL202009 0.87 ALDH1A1 (0.43) FKBP1AALDH1A1KMT2AMEN1LMNA
SCHEMBL3547954 0.86 FKBP5 (0.36) FKBP1AFKBP5L3MBTL1CYP1A2CYP3A4
SCHEMBL200918 0.86 FKBP5 (0.36) FKBP1AFKBP5L3MBTL1CYP1A2CYP3A4
SCHEMBL3550682 0.83 FKBP1A (0.50) FKBP1AMMP2ANPEPALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
EP-2338878-A2 N-hydroxyamide derivatives possessing antibacterial activity Vicuron Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 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 (2 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-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 FKBP1A 2773/4885MMP2 1855/4885ANPEP 418/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE FKBP1A 3069/4885MMP2 1277/4885ANPEP 160/4885

“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.