SCHEMBL295880

SCHEMBL295880

COC(=O)[C@@H](CC=CCl)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 3/20 0.34
CA12 O43570 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2234429 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL293294 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL295878 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL293293 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL2234435 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL8090761 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL9978358 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978359 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978356 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978585 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
EP-2171061-B1 PREPARATION OF AN ESTERASE DPX HOLDINGS BV (NL) 2017-09-27 EP disclosed
US-9309503-B2 Preparation of an esterase DPX HOLDINGS B.V. (NL) 2016-04-12 US disclosed
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2013-11-21 US disclosed
US-8563279-B2 Convergent synthesis of renin inhibitors and intermediates useful therein DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
EP-2225200-B1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS BV (NL) 2013-10-16 EP disclosed
US-8158393-B2 Polypeptide having esterase activity and recombinant esterase and use thereof DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) 2012-04-17 US disclosed
EP-1966373-B1 Polypeptide having esterase activity and recombinant esterase and use thereof DSM FINE CHEM AUSTRIA GMBH (AT) 2012-03-14 EP disclosed
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO disclosed
US-20110177553-A1 PREPARATION OF AN ESTERASE DPX HOLDINGS B.V. (NL) 2011-07-21 US disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
US-20100248337-A1 PROCESS FOR THE PRODUCTION OF (s)-5-CHLORO-2-ISOPROPYLPENT-4-ENOIC ACID ESTERS TAYLOR IAN N 2010-09-30 US disclosed
EP-2225200-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP Assets B.V. (NL) 2010-09-08 EP disclosed
US-7759110-B2 Process for the production of (S)-5-chloro-2-isopropylpent-4-enoic acid esters TAYLOR IAN N 2010-07-20 US disclosed
EP-2171061-A1 PREPARATION OF AN ESTERASE DSM IP Assets B.V. (NL) 2010-04-07 EP disclosed
WO-2009080773-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2009-07-02 WO disclosed
WO-2009004093-A1 PREPARATION OF AN ESTERASE DSM IP ASSETS B.V. (NL) 2009-01-08 WO disclosed
US-20080131944-A1 Process For the Production of (S)-5-Chloro-2-Ispropylpent-4-Enoic Acid Esters TAYLOR IAN N 2008-06-05 US disclosed
CN-1993476-A Process for the preparation of -5-chloro-2-isopropylpent-4-enoic acid esters DOW GLOBAL TECHNOLOGIES INC (US) 2007-07-04 CN disclosed
EP-1626093-A1 Process for the production of (S)-5-chloro-2-isopropylpent-4-enoic acid esters DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-15 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 (2 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-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN REN, ACE, AGT SMN1; SMN2 4665/4885CA14 406/4885CA12 998/4885
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN REN, ACE, AGT SMN1; SMN2 4654/4885CA14 412/4885CA12 1000/4885

“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.