SCHEMBL20456151

SCHEMBL20456151

O=C(O)C1(C(=O)O)CC1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL16819017 0.79 TSHR (0.30)
SCHEMBL18358200 0.78 OPRM1 (0.34) MEN1KMT2AKDM4EALOX15
SCHEMBL20107144 0.78 OPRM1 (0.34) MEN1KMT2AKDM4EALOX15
SCHEMBL18358210 0.78 OPRM1 (0.34) MEN1KMT2AKDM4EALOX15
SCHEMBL18358230 0.78 OPRM1 (0.34) MEN1KMT2AKDM4EALOX15
SCHEMBL21048292 0.75 PPM1B (0.32)
SCHEMBL25331473 0.71 APLNR (0.34) CYP2C19
SCHEMBL31530488 0.71 APLNR (0.34) CYP2C19
SCHEMBL25331476 0.71 APLNR (0.34) CYP2C19
SCHEMBL25907708 0.71 GRM2 (0.42) GRM4GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. 2021-03-25 US disclosed
CN-110461812-A Enzymatic process for the preparation of (+ -) -2- (difluoromethyl) -1- (alkoxycarbonyl) -cyclopropanecarboxylic acid and (+ -) -2- (vinyl) -1- (alkoxycarbonyl) -cyclopropanecarboxylic acid ABBVIE INC 2019-11-15 CN disclosed
US-10316338-B1 Enzymatic process for the preparation of (1S,2R)-2-(difluoromethyl)-1-(propoxycarbonyl)cyclopropanecarboxylic acid ABB VIE INC. (US) 2019-06-11 US disclosed
US-20180258451-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. 2018-09-13 US disclosed
WO-2018144681-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID ABBVIE INC. (US) 2018-08-09 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-20210087592-A1 ENZYMATIC PROCESSES FOR THE PREPARATION OF (±)-2-(DIFLUOROMETHYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID AND (±)-2-(VINYL)-1-(ALKOXYCARBONYL)-CYCLOPROPANECARBOXYLIC ACID CTRL, DNPEP, CPN1 GRM4 3667/4885ALDH1A1 533/4885CYP1A2 618/4885

“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.