SCHEMBL861691

SCHEMBL861691

Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(SOON)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
PPP1CA P62136 1/20 0.64
RPA1 P27694 5/20 0.58
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMPD1 P17405 1/20 0.50
BCL2 P10415 5/20 0.49
MDM2 Q00987 5/20 0.49
MCL1 Q07820 5/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL861461 0.90 SMN1; SMN2 (0.65) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL860872 0.89 PTGS2 (0.53) SMN1; SMN2PPP1CARPA1SMPD1CA9
SCHEMBL13502529 0.88 MALT1 (0.58) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL14728132 0.84 SMN1; SMN2 (0.86) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL14562016 0.84 PTGS2 (0.48) SMN1; SMN2PPP1CACA9
SCHEMBL14562085 0.82 KDM4C (0.42) SMN1; SMN2PPP1CAMEN1KMT2ASMPD1
SCHEMBL861051 0.82 RXRA (0.61) CA9
SCHEMBL14562019 0.82 PTGS2 (0.48) SMN1; SMN2PPP1CASMPD1CA9
SCHEMBL14562086 0.81 SMPD1 (0.43) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL14562021 0.81 CA9 (0.60) CA9

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
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-7659426-B2 Target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-02-09 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 US disclosed
US-20070082955-A1 Novel target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2007-04-12 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 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 (4 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-20070082955-A1 Novel target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto SRPRB, KHSRP, SPG11 SMN1; SMN2 3836/4885PPP1CA 1547/4885RPA1 290/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 SMN1; SMN2 3047/4885PPP1CA 2137/4885RPA1 4693/4885
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 SMN1; SMN2 1445/4885PPP1CA 4317/4885RPA1 3239/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 SMN1; SMN2 2692/4885PPP1CA 4363/4885RPA1 3983/4885

“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.