SCHEMBL1994776

SCHEMBL1994776

Cc1cc(NC(=O)c2cc(F)cc(N(C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)S(C)(=O)=O)c2)sn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM5 P41594 2/20 0.31
CSF1R P07333 1/20 0.31
GRIA2 P42262 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
DDR1 Q08345 1/20 0.30
IDO1 P14902 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL1993913 0.86 ALDH1A1 (0.37) F2ALDH1A1GRM5GRIA2RIPK1
SCHEMBL1987375 0.85 GRM5 (0.47) ALDH1A1LMNAGRM5POLBMAPT
SCHEMBL1990276 0.85 GRM5 (0.50) GRM5
SCHEMBL1988820 0.84 RAB9A (0.45) F2ALDH1A1LMNAMAPT
SCHEMBL1550616 0.84 FFAR2 (0.37) F2ALDH1A1GRIA2IDO1
SCHEMBL1989363 0.84 KMT2A (0.40) F2ALDH1A1LMNAGRIA2MAPT
SCHEMBL1997351 0.83 NPC1 (0.41) F2ALDH1A1LMNAGRM5MAPT
SCHEMBL1993587 0.83 FFAR2 (0.41) ALDH1A1LMNANPSR1MAPT
SCHEMBL1990100 0.83 F2 (0.36) F2ALDH1A1GRM5GRIA2RIPK1
SCHEMBL1988375 0.83 FFAR2 (0.39) F2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
WO-2010018328-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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 (1 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S F2 1930/4885ALDH1A1 521/4885LMNA 2384/4885

“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.