Sugi Predict

Sugi Predict / Compounds / SCHEMBL2737895

SCHEMBL2737895

SCHEMBL2737895

COC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ RECQL P46063 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CCR2 P41597 4/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL5475967 1.00 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL15561495 1.00 SMN1; SMN2 (0.47) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL15207132 0.92 HSD17B10 (0.43) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL18555429 0.92 HSD17B10 (0.43) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL5783722 0.90 SMN1; SMN2 (0.40) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL31214424 0.87 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL8892617 0.85 PTPN1 (0.41) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL31716576 0.85 PTPN1 (0.41) SMN1; SMN2USP2RECQLNR1H2NR1H3
SCHEMBL15116754 0.85 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10NPC1
SCHEMBL154453 0.85 SMN1; SMN2 (0.50) SMN1; SMN2USP2RECQLHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793409-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2022-09-27 — — CN disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 — — US disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 — — US disclosed
EP-3149001-B1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2019-04-24 — — EP disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-9815842-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors NOVARTIS AG (CH) 2017-11-14 — — US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 — — WO disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 — — US disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 — — 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 (5 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS SMN1; SMN2 904/4885USP2 4730/4885RECQL 449/4885
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 SMN1; SMN2 3729/4885USP2 1691/4885RECQL 2883/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885USP2 736/4885RECQL 1466/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS SMN1; SMN2 904/4885USP2 4730/4885RECQL 449/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 SMN1; SMN2 4150/4885USP2 2310/4885RECQL 2502/4885

“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.