SCHEMBL201024

SCHEMBL201024

COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NO)cc1SC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PDK2 Q15119 2/20 0.45
ROCK2 O75116 3/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
HSD11B1 P28845 4/20 0.39

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
SCHEMBL13403420 0.94 PDK2 (0.43) ALDH1A1PDK2ROCK2LMNAHPGD
SCHEMBL200851 0.87 FKBP1A (0.46) ALDH1A1PDK2ROCK2LMNAHPGD
SCHEMBL4650506 0.83 PDK2 (0.39) ALDH1A1PDK2ROCK2LMNAHSD11B1
SCHEMBL4650510 0.83 PDK2 (0.39) ALDH1A1PDK2ROCK2LMNAHSD11B1
SCHEMBL201209 0.83 PDK2 (0.39) ALDH1A1PDK2ROCK2LMNAHSD11B1
SCHEMBL13403466 0.83 ALDH1A1 (0.41) ALDH1A1PDK2LMNAHPGDSMN1; SMN2
SCHEMBL13403452 0.82 HPGD (0.40) ALDH1A1PDK2HPGDMMP2MMP9
SCHEMBL13403467 0.81 KDM4E (0.37) ALDH1A1PDK2RHOCRHOAMMP2
SCHEMBL13403459 0.81 L3MBTL1 (0.42) ALDH1A1PDK2HPGDSMN1; SMN2MMP2
SCHEMBL13403432 0.81 MMP2 (0.42) ALDH1A1PDK2MMP2

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 ALDH1A1 343/4885PDK2 4421/4885ROCK2 4478/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885PDK2 2445/4885ROCK2 4535/4885

“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.