SCHEMBL7108962

SCHEMBL7108962

COC(=O)NCC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
LMNA P02545 4/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ROCK2 O75116 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7108959 1.00 EPHX1 (0.38) EPHX1LMNACYP2C19HIF1AMAPT
SCHEMBL19355183 0.81 GAA (0.43) LMNAMAPTALDH1A1KDM4ERAB9A
SCHEMBL19656683 0.81 TSHR (0.34) LMNACYP2C19HIF1AMAPTALDH1A1
SCHEMBL27252550 0.80 MAPT (0.38) EPHX1MAPTALDH1A1RAB9ATSHR
SCHEMBL13592491 0.80 MTNR1A (0.40) EPHX1HIF1AMAPTALDH1A1KDM4E
SCHEMBL13037022 0.80 GABRR1 (0.38) EPHX1LMNAMAPTALDH1A1RAB9A
SCHEMBL17794013 0.80 ALDH1A1 (0.35) LMNACYP2C19HIF1AALDH1A1EGFR
SCHEMBL1222348 0.79 TDP1 (0.49) EPHX1LMNAKDM4EMEN1KMT2A
SCHEMBL1222350 0.79 TDP1 (0.49) EPHX1LMNAKDM4EMEN1KMT2A
SCHEMBL3166361 0.79 TDP1 (0.49) EPHX1LMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104629573-B The manufacture method of optical component and the application of the ultraviolet-curing resin composition for this manufacture method 日本化药株式会社 2016-09-14 CN claimed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 US disclosed
CN-104629573-B The manufacture method of optical component and the application of the ultraviolet-curing resin composition for this manufacture method 日本化药株式会社 2016-09-14 CN disclosed
EP-1071654-B1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES SAMSUNG FINE CHEMICALS CO LTD (KR) 2003-10-22 EP disclosed
US-6417403-B1 AMINATION OF 3,4-DISUBSTITUTED-1-BUTANECARBONYL DERIVATIVE THROUGH CURTIUS OR HOFMAN REARRANGEMENT; SALT FORMATION, CARBAMYLATION SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-07-09 US disclosed
CN-1301248-A Process for preparing chiral (S)-2, 3-disubstituted-1-propylamine derivatives SAMSUNG FINE CHEMICALS CO LTD (KR) 2001-06-27 CN disclosed
EP-1071654-A1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES Samsung Fine Chemicals Co., Ltd. (KR) 2001-01-31 EP disclosed
WO-1999052855-A1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 1999-10-21 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 (1 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 EPHX1 1525/4885LMNA 3607/4885CYP2C19 3277/4885

“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.