SCHEMBL7205892

SCHEMBL7205892

N#Cc1ccc(C(N)=O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
IKBKB O14920 2/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK8 P49336 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
CCNC P24863 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL3960184 0.81 DAO (0.48) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL352339 0.79 L3MBTL1 (0.56) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL10638684 0.79 S1PR1 (0.41) F2S1PR1S1PR3S1PR2S1PR4
SCHEMBL6181512 0.77 F2 (0.71) F2IKBKBALDH1A1L3MBTL1NPSR1
SCHEMBL28933254 0.75 HDAC8 (0.37) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL20786824 0.75 KDM4E (0.49) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL2226439 0.75 NPSR1 (0.51) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL6284311 0.75 GSK3B (0.56) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL15113608 0.75 S1PR1 (0.39) S1PR1S1PR3S1PR2S1PR4HDAC8
SCHEMBL12670964 0.74 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
WO-2016053855-A1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-07 WO disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-6613930-B2 Contacting 2-amino-4-nitrotoluene with HR/NaNO3 followed by heating; hydrogenation to reduce nitro group to amino group; reacting with NaNO2/HCl; adding cyanate source; oxidation to obtain 4-cyanobenzoic acid derivative MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed
EP-1244613-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2002-10-02 EP disclosed
US-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds COR THERAPEUTICS, INC. 2002-06-13 US disclosed
WO-2001042198-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2001-06-14 WO disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO 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-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds PFKP, PCCA, TBXAS1 F2 11/4885IKBKB 1155/4885S1PR1 4504/4885

“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.