SCHEMBL93063

SCHEMBL93063

Cc1cc(CO)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.51
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TTR P02766 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31533145 1.00 S1PR1 (0.51) S1PR1RECQLMCL1S1PR2S1PR4
SCHEMBL29434783 0.83 ALDH1A1 (0.47) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL12333663 0.83 ALDH1A1 (0.47) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL92958 0.82 S1PR1 (0.51) S1PR1RECQLTTRHSD17B10SMN1; SMN2
SCHEMBL19767027 0.82 HTR2A (0.47) S1PR1MCL1TTRKMT2ASMN1; SMN2
SCHEMBL81132 0.79 IGF1R (0.44) S1PR1MCL1ALDH1A1
SCHEMBL9889466 0.79 LTA4H (0.52) MCL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1291043 0.79 TTR (0.40) S1PR1MCL1ESR1ESR2TTR
SCHEMBL12643 0.79 TRPA1 (0.43) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL93048 0.78 S1PR1 (0.47) S1PR1RECQLESR1ESR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527099-B Selective inhibitors of protein arginine methyltransferase 5 (PRMT 5) 普莱鲁德疗法有限公司 2024-03-22 CN disclosed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2022-08-16 US disclosed
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 US disclosed
CN-111527099-A Selective inhibitors of protein arginine methyltransferase 5(PRMT5) 普莱鲁德疗法有限公司 2020-08-11 CN disclosed
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2020-07-23 US disclosed
US-10669257-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2020-06-02 US disclosed
EP-3599236-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2020-01-29 EP disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 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 (7 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 S1PR1 856/4885RECQL 3913/4885MCL1 601/4885
US-10669257-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 S1PR1 3962/4885RECQL 265/4885MCL1 1392/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 S1PR1 3962/4885RECQL 265/4885MCL1 1392/4885
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 S1PR1 3962/4885RECQL 265/4885MCL1 1392/4885
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 S1PR1 3962/4885RECQL 265/4885MCL1 1392/4885
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 S1PR1 686/4885RECQL 3963/4885MCL1 1855/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 S1PR1 1646/4885RECQL 1286/4885MCL1 3026/4885

“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.