SCHEMBL979496

SCHEMBL979496

O=C(O)c1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77
F2 P00734 3/20 0.68
PPARG P37231 1/20 0.61
CYP19A1 P11511 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
F10 P00742 2/20 0.57
PLG P00747 2/20 0.57
PLAU P00749 2/20 0.57
PRSS1 P07477 2/20 0.57

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
SCHEMBL29784265 1.00 CASP3 (0.77) CASP3SENP8SENP7SENP6F2
SCHEMBL23717137 0.87 F2 (0.64) CASP3SENP8SENP7SENP6F2
SCHEMBL11688369 0.87 F2 (0.64) CASP3SENP8SENP7SENP6F2
SCHEMBL29941485 0.87 CASP3 (1.00) CASP3SENP8SENP7SENP6F2
SCHEMBL3704691 0.87 CASP3 (1.00) CASP3SENP8SENP7SENP6F2
SCHEMBL11565448 0.86 CHEK2 (0.67) CASP3SENP8SENP7SENP6F2
SCHEMBL4334503 0.86 CASP3 (0.57) CASP3SENP8SENP7SENP6F2
SCHEMBL164956 0.86 CASP3 (0.57) CASP3SENP8SENP7SENP6F2
SCHEMBL693160 0.86 F2 (0.58) CASP3SENP8SENP7SENP6F2
SCHEMBL11563588 0.86 CASP3 (0.57) CASP3SENP8SENP7SENP6F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
CN-101910121-A Bis (sulfonylamino) derivatives 066 in therapy ASTRAZENECA AB 2010-12-08 CN disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
CN-100443469-C Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2008-12-17 CN disclosed
CN-101302182-A Virus polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2008-11-12 CN disclosed
CN-1610546-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2005-04-27 CN disclosed
EP-0854865-B1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF INDOLE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2003-01-29 EP disclosed
US-5856496-A Combinatorial solid phase synthesis of a library of indole derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 US disclosed
EP-0854865-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF INDOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-07-29 EP disclosed
WO-1997044319-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF INDOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-27 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 CASP3 3085/4885SENP8 2807/4885SENP7 2870/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG CASP3 4280/4885SENP8 4307/4885SENP7 4113/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 CASP3 2919/4885SENP8 3312/4885SENP7 3189/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 CASP3 933/4885SENP8 1836/4885SENP7 1131/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG CASP3 4280/4885SENP8 4307/4885SENP7 4113/4885

“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.