SCHEMBL2298443

SCHEMBL2298443

Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3CN(C(=O)Oc4ccccc4)CCO3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
NPY2R P49146 3/20 0.41
KMT2A Q03164 4/20 0.41
FAAH O00519 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
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
SCHEMBL2291605 1.00 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2NPY2RKMT2A
SCHEMBL2298229 0.93 KMT2A (0.45) NPY2RKMT2ACASP3SENP7KDM4E
SCHEMBL2294527 0.93 KMT2A (0.45) NPY2RKMT2ACASP3SENP7KDM4E
SCHEMBL2297086 0.89 FAAH (0.46) CYP2C9CYP2C19CYP1A2FAAHALDH1A1
SCHEMBL2298820 0.89 FAAH (0.46) CYP2C9CYP2C19CYP1A2FAAHALDH1A1
SCHEMBL2294412 0.88 ENPP3 (0.44) CYP2C9CYP2C19CYP1A2KMT2ASMN1; SMN2
SCHEMBL2293182 0.88 ENPP3 (0.44) CYP2C9CYP2C19CYP1A2KMT2ASMN1; SMN2
SCHEMBL3374352 0.88 ALDH1A1 (0.43) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL3372092 0.88 ALDH1A1 (0.43) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2296164 0.87 KMT2A (0.44) CYP2C9CYP2C19KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2C9 1988/4885CYP2C19 1737/4885CYP1A2 761/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2C9 1988/4885CYP2C19 1737/4885CYP1A2 761/4885

“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.