SCHEMBL20943271

SCHEMBL20943271

CCC(=O)OCCc1ccc(C#N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
HTT P42858 1/20 0.40
GRM2 Q14416 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RAB9A P51151 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 2/20 0.35
YWHAG P61981 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL30554488 0.86 ACACB (0.43) ACACBGRM2FFAR1FFAR4AR
SCHEMBL20719579 0.86 ACACB (0.43) ACACBGRM2FFAR1FFAR4AR
SCHEMBL14109903 0.81 CYP4F2 (0.54) ACACBFFAR1FFAR4MAPTALDH1A1
SCHEMBL30404220 0.77 GRM2 (0.38) ACACBGRM2FFAR1FFAR4AR
SCHEMBL20719578 0.77 MAOB (0.46) ACACBRAB9AARMAPTSMN1; SMN2
SCHEMBL20943410 0.76 HTT (0.38) HTTMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL13061999 0.75 RAB9A (0.41) ACACBGRM2FFAR1FFAR4RAB9A
Ethyl Propionate SCHEMBL23581114 0.74 CYP4F2 (0.45) HTTRAB9AMAPTSMN1; SMN2PPARD
SCHEMBL10974800 0.74 CYP11B1 (0.43) ACACBGRM2FFAR1FFAR4RAB9A
SCHEMBL14313759 0.74 ALDH1A1 (0.46) ACACBGRM2RAB9AARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 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 (4 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ACACB 1389/4885HTT 2562/4885GRM2 3382/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ACACB 1598/4885HTT 2402/4885GRM2 3595/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ACACB 1598/4885HTT 2402/4885GRM2 3595/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ACACB 1389/4885HTT 2562/4885GRM2 3382/4885

“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.