SCHEMBL200851

SCHEMBL200851

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.46
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
ROCK2 O75116 2/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PDK2 Q15119 2/20 0.38
FKBP5 Q13451 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13403432 0.94 MMP2 (0.42) FKBP1AMMP2ANPEPALDH1A1GAA
SCHEMBL201024 0.87 ALDH1A1 (0.50) MMP2ALDH1A1RHOCRHOAROCK2
SCHEMBL203547 0.86 ALDH1A1 (0.38) FKBP1AMMP2ALDH1A1RHOCRHOA
SCHEMBL2691691 0.83 MMP2 (0.47) FKBP1AMMP2ANPEPPKM
SCHEMBL13403515 0.83 MMP2 (0.47) FKBP1AMMP2ANPEPGAAPKM
SCHEMBL13403495 0.83 MMP2 (0.47) FKBP1AMMP2ANPEPROCK2GAA
SCHEMBL202387 0.83 MMP2 (0.47) FKBP1AMMP2ANPEPPKM
SCHEMBL13403522 0.83 MMP2 (0.40) FKBP1AMMP2ANPEPROCK2GAA
SCHEMBL13403498 0.83 MMP2 (0.46) FKBP1AMMP2ANPEPGAAPKM
SCHEMBL13403420 0.81 PDK2 (0.43) ALDH1A1ROCK2PDK2LMNAHPGD

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 11 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
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-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 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.