SCHEMBL203547

SCHEMBL203547

CCCc1cc(C(=O)N2CCC[C@@H]2C(=O)NO)cc(SC(F)(F)F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MMP8 P22894 3/20 0.36
MMP13 P45452 3/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
PDK2 Q15119 2/20 0.36
FKBP5 Q13451 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP12 P39900 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL13403426 0.95 HTR2A (0.34) ALDH1A1RHOCRHOAMMP13MMP2
SCHEMBL200851 0.86 FKBP1A (0.46) ALDH1A1RHOCRHOAMMP2PDK2
SCHEMBL3552631 0.84 FKBP1A (0.47) ALDH1A1MMP2FKBP5FKBP1A
SCHEMBL200970 0.84 FKBP1A (0.47) ALDH1A1MMP2FKBP5FKBP1A
SCHEMBL3546077 0.81 MMP2 (0.38) ALDH1A1MMP8MMP13MMP2MMP9
SCHEMBL3546080 0.81 MMP2 (0.38) ALDH1A1MMP8MMP13MMP2MMP9
SCHEMBL13403432 0.80 MMP2 (0.42) ALDH1A1MMP2PDK2L3MBTL1FKBP1A
SCHEMBL201024 0.79 ALDH1A1 (0.50) ALDH1A1RHOCRHOAMMP8MMP13
SCHEMBL13403444 0.79 PDK2 (0.38) ALDH1A1RHOCRHOAMMP8MMP13
SCHEMBL3544576 0.79 MMP2 (0.36) ALDH1A1MMP13MMP2MMP9PDK2

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-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
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-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-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
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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 (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 ALDH1A1 343/4885RHOC 4456/4885RHOA 1972/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885RHOC 4681/4885RHOA 4800/4885

“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.