SCHEMBL934458

SCHEMBL934458

CCN1CCC(C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
S1PR5 Q9H228 8/20 0.50
S1PR1 P21453 2/20 0.50
S1PR4 O95977 1/20 0.50
S1PR3 Q99500 1/20 0.50
NOTUM Q6P988 2/20 0.42
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13739335 1.00 SMN1; SMN2 (0.57) SMN1; SMN2S1PR5S1PR1S1PR4S1PR3
SCHEMBL13740434 1.00 SMN1; SMN2 (0.57) SMN1; SMN2S1PR5S1PR1S1PR4S1PR3
Hydrochloric Acid SCHEMBL28596153 0.98 SMN1; SMN2 (0.55) SMN1; SMN2S1PR5S1PR1S1PR4S1PR3
SCHEMBL1609328 0.88 SMN1; SMN2 (0.54) SMN1; SMN2S1PR5HSD11B1CYP1A2ALDH1A1
SCHEMBL771607 0.88 SMN1; SMN2 (0.54) SMN1; SMN2S1PR5HSD11B1CYP1A2ALDH1A1
SCHEMBL740141 0.88 SMN1; SMN2 (0.54) SMN1; SMN2S1PR5HSD11B1CYP1A2ALDH1A1
SCHEMBL855052 0.87 SMN1; SMN2 (0.67) SMN1; SMN2S1PR5S1PR1S1PR4S1PR3
Hydrochloric Acid SCHEMBL19638092 0.86 SMN1; SMN2 (0.56) SMN1; SMN2S1PR5ALDH1A1
Hydrochloric Acid SCHEMBL613075 0.86 SMN1; SMN2 (0.56) SMN1; SMN2S1PR5ALDH1A1
Hydrochloric Acid SCHEMBL6997154 0.85 SMN1; SMN2 (0.64) SMN1; SMN2S1PR5S1PR1S1PR4S1PR3

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 EP disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
CN-107709310-B Substituted cyclic amides and their use as herbicides FMC公司 2021-09-24 CN disclosed
WO-2021147940-A1 PD-1/PD-L1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海华汇拓医药科技有限公司 2021-07-29 WO disclosed
CN-107592862-B Aryl-substituted bicyclic compounds as herbicides FMC公司 2021-06-15 CN disclosed
WO-2021093817-A1 IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2021-05-20 WO disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 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 (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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 SMN1; SMN2 4581/4885S1PR5 301/4885S1PR1 409/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 SMN1; SMN2 3760/4885S1PR5 2992/4885S1PR1 2678/4885
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 SMN1; SMN2 4100/4885S1PR5 2422/4885S1PR1 2451/4885
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 SMN1; SMN2 4440/4885S1PR5 3258/4885S1PR1 1367/4885

“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.