SCHEMBL315722

SCHEMBL315722

CC(C)(C)OC(=O)N1[CH]COCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 1/20 0.44
NR1H2 P55055 1/20 0.38
ESR2 Q92731 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
CTSK P43235 1/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 2/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSD P07339 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL360593 0.80 MEN1 (0.36) USP2SMN1; SMN2RECQLHPGDMEN1
SCHEMBL20265001 0.77 USP2 (0.46) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL16382751 0.76 USP2 (0.50) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL18499551 0.74 USP2 (0.49) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL1209139 0.74
SCHEMBL30793635 0.73 USP2 (0.44) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL795243 0.73 USP2 (0.42) USP2SMN1; SMN2NR1H2ESR2GPR119
SCHEMBL3277549 0.72 USP2 (0.46) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL18084805 0.72 USP2 (0.63) USP2SMN1; SMN2RECQLNR1H2ESR2
SCHEMBL12774623 0.72 SMN1; SMN2 (0.69) USP2SMN1; SMN2RECQLGPR119CTSK

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
EP-2313403-B1 THIAZOLYL PIPERDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-08 EP disclosed
US-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
EP-2313403-A2 THIAZOLYL PIPERDINE DERIVATIVES Merck Patent GmbH (DE) 2011-04-27 EP disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2009156041-A2 THIAZOLYL PIPERDINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-30 WO disclosed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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 (6 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-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO USP2 4851/4885SMN1; SMN2 4756/4885RECQL 3614/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO USP2 4774/4885SMN1; SMN2 4762/4885RECQL 3366/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 USP2 4277/4885SMN1; SMN2 3508/4885RECQL 2062/4885
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES SPHK1, S1PR1, SPHK2 USP2 4806/4885SMN1; SMN2 2628/4885RECQL 1075/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO USP2 4774/4885SMN1; SMN2 4762/4885RECQL 3366/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 USP2 4525/4885SMN1; SMN2 4519/4885RECQL 197/4885

“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.