SCHEMBL20944255

SCHEMBL20944255

NC(=NO)c1cccc(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
HSD17B10 Q99714 2/20 0.40
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
MMP2 P08253 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL20944253 1.00 ALB (0.44) ALBALDH1A1ALOX15F2PRSS1
SCHEMBL336107 0.82 ALDH1A1 (0.60) ALBALDH1A1ALOX15HSD17B10G6PD
SCHEMBL29757324 0.80 ALDH1A1 (0.61) ALDH1A1ALOX15F2PRSS1PRSS2
SCHEMBL641271 0.79 CES2 (0.52) ALBALDH1A1ALOX15GAALMNA
SCHEMBL641270 0.79 CES2 (0.52) ALBALDH1A1ALOX15GAALMNA
SCHEMBL25243403 0.78 TSHR (0.46) ALDH1A1ALOX15F2PRSS1PRSS2
SCHEMBL25286365 0.78 TSHR (0.46) ALDH1A1ALOX15F2PRSS1PRSS2
SCHEMBL20963456 0.76 TSHR (0.53) ALDH1A1ALOX15HSD17B10GAALMNA
SCHEMBL17730397 0.76 GAA (0.41) ALDH1A1GAALMNAL3MBTL1CES2
SCHEMBL17738056 0.76 GAA (0.41) ALDH1A1GAALMNAL3MBTL1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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 (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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 ALB 2038/4885ALDH1A1 2602/4885ALOX15 438/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ALB 2038/4885ALDH1A1 2602/4885ALOX15 438/4885

“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.