SCHEMBL201022

SCHEMBL201022

COc1cc(C(=S)N2CCC[C@@H]2C(=O)NO)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
RHOA P61586 2/20 0.45
RHOC P08134 1/20 0.45
ADCY8 P40145 1/20 0.42
ADCY1 Q08828 1/20 0.42
MMP13 P45452 5/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 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
SCHEMBL3543791 1.00 HCRTR1 (0.46) HCRTR1HCRTR2RHOARHOCADCY8
SCHEMBL3544857 0.94 HCRTR1 (0.41) HCRTR1HCRTR2RHOARHOCADCY8
SCHEMBL3544853 0.94 HCRTR1 (0.41) HCRTR1HCRTR2RHOARHOCADCY8
SCHEMBL3545842 0.89 HCRTR1 (0.46) HCRTR1HCRTR2RHOARHOCADCY8
SCHEMBL3545845 0.89 HCRTR1 (0.46) HCRTR1HCRTR2RHOARHOCADCY8
SCHEMBL3552980 0.83 ADCY8 (0.42) HCRTR1HCRTR2RHOAADCY8ADCY1
SCHEMBL3552983 0.83 ADCY8 (0.42) HCRTR1HCRTR2RHOAADCY8ADCY1
SCHEMBL3548143 0.82 RHOA (0.45) RHOARHOCMMP3MMP8GAA
SCHEMBL3551395 0.81 POLB (0.49) HCRTR1HCRTR2RHOARHOCMMP1
SCHEMBL201319 0.81 POLB (0.49) HCRTR1HCRTR2RHOARHOCMMP1

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 HCRTR1 1201/4885HCRTR2 1892/4885RHOA 1972/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE HCRTR1 1763/4885HCRTR2 1893/4885RHOA 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.