SCHEMBL1990100

SCHEMBL1990100

CS(=O)(=O)N(c1cc(F)cc(C(=O)Nc2cc[nH]n2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SLC6A9 P48067 1/20 0.32
GRIA2 P42262 1/20 0.32
RIPK1 Q13546 1/20 0.31
CNR1 P21554 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN9A Q15858 2/20 0.30
GRM5 P41594 2/20 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
SCHEMBL1990889 0.89 NPC1 (0.37) F2CCNA2CDK2CCNA1SIRT2
SCHEMBL1989636 0.85 SMN1; SMN2 (0.42) SIRT2NPC1ALDH1A1PKMTSHR
SCHEMBL1988375 0.85 FFAR2 (0.39) F2SIRT2NPC1ALDH1A1TSHR
SCHEMBL1988820 0.85 RAB9A (0.45) F2NPC1ALDH1A1TSHRRAB9A
SCHEMBL1550616 0.85 FFAR2 (0.37) F2SIRT2GRIA2NPC1ALDH1A1
SCHEMBL1989363 0.85 KMT2A (0.40) F2GRIA2ALDH1A1TSHRRAB9A
SCHEMBL1997351 0.85 NPC1 (0.41) F2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1990276 0.85 GRM5 (0.50) GRM5
SCHEMBL1993913 0.84 ALDH1A1 (0.37) F2GRIA2RIPK1NPC1ALDH1A1
SCHEMBL977021 0.84 SLC6A9 (0.36) F2OPRD1OPRM1SLC6A9CNR1

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 2 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
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 1930/4885CCNA2 710/4885CDK2 3499/4885

“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.