SCHEMBL1993587

SCHEMBL1993587

CS(=O)(=O)N(c1cc(F)cc(C(=O)Nc2nccs2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
GCK P35557 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KCNMA1 Q12791 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1551291 0.89 MEN1 (0.47) FFAR2LMNAMEN1KMT2AALDH1A1
SCHEMBL1550616 0.87 FFAR2 (0.37) FFAR2MEN1KMT2AALDH1A1TSHR
SCHEMBL1987375 0.87 GRM5 (0.47) FFAR2LMNAMEN1KMT2AALDH1A1
SCHEMBL1989636 0.86 SMN1; SMN2 (0.42) FFAR2LMNAMEN1KMT2AALDH1A1
SCHEMBL1989363 0.85 KMT2A (0.40) FFAR2LMNAMEN1KMT2AALDH1A1
SCHEMBL1987986 0.85 FFAR2 (0.45) FFAR2MEN1KMT2AALDH1A1GCK
SCHEMBL1997351 0.85 NPC1 (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1993913 0.84 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1990276 0.83 GRM5 (0.50) KMT2A
SCHEMBL1989733 0.83 SIRT2 (0.40)

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 1 patent. 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 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 FFAR2 3135/4885LMNA 2384/4885MEN1 1088/4885

“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.