Sugi Predict

Sugi Predict / Compounds / SCHEMBL295878

SCHEMBL295878

SCHEMBL295878

COC(=O)[C@@H](C/C=C/Cl)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
SCHEMBL293293 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL295880 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924928-A Preparation method of aliskiren intermediate 江苏阿尔法药业股份有限公司 2023-10-24 — — CN claimed
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
CN-116924928-A Preparation method of aliskiren intermediate 江苏阿尔法药业股份有限公司 2023-10-24 — — CN disclosed
EP-2171061-B1 PREPARATION OF AN ESTERASE DPX HOLDINGS BV (NL) 2017-09-27 — — EP disclosed
US-9550797-B2 Preparation of Grignard reagents using a fluidized bed PATHEON HOLDINGS I B.V. (NL) 2017-01-24 — — US disclosed
US-9550797-B2 Preparation of Grignard reagents using a fluidized bed PATHEON HOLDINGS I B.V. (NL) 2017-01-24 — — US disclosed
US-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED PATHEON HOLDINGS I B.V. (NL) 2016-05-19 — — US disclosed
US-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED PATHEON HOLDINGS I B.V. (NL) 2016-05-19 — — US disclosed
US-9309503-B2 Preparation of an esterase DPX HOLDINGS B.V. (NL) 2016-04-12 — — US disclosed
WO-2014207206-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED DPX HOLDINGS B.V. (NL) 2014-12-31 — — WO disclosed
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2013-11-21 — — US disclosed
EP-2171061-A1 PREPARATION OF AN ESTERASE DSM IP Assets B.V. (NL) 2010-04-07 — — EP disclosed
EP-1412514-B1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED CARBOXYLIC ESTERS NOVARTIS AG (CH) 2010-02-17 — — 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-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-20070191630-A1 PROCESSES FOR PRODUCING (4E)-5-CHLORO-2-ISOPROPYL-4-PENTENOATE AND OPTICALLY ACTIVE FORM THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2007-08-16 — — US disclosed
US-20070191630-A1 PROCESSES FOR PRODUCING (4E)-5-CHLORO-2-ISOPROPYL-4-PENTENOATE AND OPTICALLY ACTIVE FORM THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2007-08-16 — — US disclosed
US-7232925-B2 Process for producing (4E)-5-chloro-2-isopropyl-4-pentenoate and optically active form thereof ASAHI GLASS COMPANY, LIMITED (JP) 2007-06-19 — — US disclosed
US-7232925-B2 Process for producing (4E)-5-chloro-2-isopropyl-4-pentenoate and optically active form thereof ASAHI GLASS COMPANY, LIMITED (JP) 2007-06-19 — — 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 (3 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-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED GRM4, GRIA4, GRM2 SMN1; SMN2 3619/4885CA14 1022/4885CA12 1180/4885
US-20070191630-A1 PROCESSES FOR PRODUCING (4E)-5-CHLORO-2-ISOPROPYL-4-PENTENOATE AND OPTICALLY ACTIVE FORM THEREOF ACSL4, EPB41, PLAAT4 SMN1; SMN2 4808/4885CA14 1624/4885CA12 3567/4885
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.