SCHEMBL20480263

SCHEMBL20480263

COc1cccc2c1C(C(N)=O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
HTR1A P08908 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CYP19A1 P11511 1/20 0.36
PIN1 Q13526 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
POLL Q9UGP5 1/20 0.36

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
SCHEMBL20480545 0.87 PTGDR2 (0.45) MAP3K14CTNNB1WNT3AHTR1APTGDR2
SCHEMBL29960150 0.79 MAP3K14 (0.63) MAP3K14CTNNB1WNT3AHTR1AMAPT
SCHEMBL20480596 0.78 ALDH1A1 (0.37) CTNNB1WNT3AHTR1APTGDR2MAPT
SCHEMBL19829900 0.78 MAP3K14 (0.45) MAP3K14CTNNB1WNT3AHTR1A
SCHEMBL20480612 0.77 ALDH1A1 (0.41) HTR1AMAPTNPC1RAB9AHPGD
SCHEMBL20480671 0.76 CYP3A4 (0.37) MAPTSMN1; SMN2L3MBTL1TSHR
SCHEMBL20480264 0.75 CYP19A1 (0.45) CTNNB1WNT3AHTR1AMAPTNPC1
SCHEMBL11000702 0.75 HTR1A (0.43) CTNNB1WNT3AHTR1APTGDR2MAPT
SCHEMBL29960701 0.75 MAP3K14 (0.45) MAP3K14CTNNB1WNT3AHTR1AMAPT
SCHEMBL20480221 0.74 CYP19A1 (0.44) HTR1AMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 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 (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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G MAP3K14 4284/4885CTNNB1 3424/4885WNT3A 2137/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G MAP3K14 4284/4885CTNNB1 3424/4885WNT3A 2137/4885

“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.