SCHEMBL9034199

SCHEMBL9034199

Cc1ccc(OC(C)C)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.49
AR P10275 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2554271 0.89 AR (0.46) XDHAR
SCHEMBL18727096 0.86 AR (0.41) XDHARKDM4EUSP2ALDH1A1
SCHEMBL7942724 0.84 ALDH1A1 (0.44) XDHARKDM4EUSP2ALDH1A1
SCHEMBL14934335 0.83 XDH (0.46) XDHAR
SCHEMBL15801286 0.83 XDH (0.46) XDHAR
SCHEMBL21079169 0.81 XDH (0.49) XDHKDM4EUSP2ALDH1A1
SCHEMBL28867041 0.81 ACHE (0.36) XDHUSP2ALDH1A1
SCHEMBL13193178 0.81 XDH (0.49) XDHKDM4EUSP2ALDH1A1
SCHEMBL16957433 0.81 ACHE (0.36) XDHUSP2ALDH1A1
SCHEMBL8799381 0.80 XDH (0.48) XDHKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
EP-3630738-B1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2023-07-19 EP disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
WO-2023023527-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-02-23 WO disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3590929-B1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2021-09-15 EP disclosed
US-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
US-7605171-B2 (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP 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 (8 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 XDH 3628/4885AR 728/4885KDM4E 3986/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R XDH 722/4885AR 1702/4885KDM4E 3800/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 XDH 3351/4885AR 1645/4885KDM4E 2537/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 XDH 3856/4885AR 279/4885KDM4E 4544/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 XDH 4308/4885AR 3112/4885KDM4E 2838/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 XDH 3628/4885AR 728/4885KDM4E 3986/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB XDH 3617/4885AR 2051/4885KDM4E 2381/4885
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 XDH 4099/4885AR 2108/4885KDM4E 2051/4885

“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.