SCHEMBL12876128

SCHEMBL12876128

CS(=O)(=O)c1ccc(N2C(=O)C3(CCN(C(=O)c4ccc5c(c4)OCCCO5)CC3)C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
STING1 Q86WV6 1/20 0.42
CACNA1H O95180 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 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
SCHEMBL8209769 0.94 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8209593 0.89 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL14263426 0.89 CACNA1H (0.49) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8209996 0.89 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202103 0.88 CACNA1H (0.45) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL12876080 0.87 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202475 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202773 0.86 TRPV1 (0.47) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL12876090 0.86 CACNA1H (0.48) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL12877125 0.86 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 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-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 MEN1 1858/4885KMT2A 3586/4885ALDH1A1 741/4885

“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.