SCHEMBL15714890

SCHEMBL15714890

Cc1cc2ccccc2n1-c1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 8/20 0.63
NR4A1 P22736 1/20 0.63
ALDH1A1 P00352 5/20 0.57
NOTUM Q6P988 5/20 0.51
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.47
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.44

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
SCHEMBL15714902 0.84 MYC (0.66) MYCNR4A1ALDH1A1TSHRPOLB
SCHEMBL17172477 0.79 NOTUM (0.79) MYCNR4A1ALDH1A1NOTUM
SCHEMBL19011437 0.79 ALDH1A1 (0.50) MYCNR4A1ALDH1A1TSHRPOLB
SCHEMBL13856248 0.78 MYC (1.00) MYCNR4A1ALDH1A1NOTUMALOX15
SCHEMBL17172440 0.73 MYC (1.00) MYCNR4A1ALDH1A1NOTUMTSHR
SCHEMBL15714492 0.73 ALDH1A1 (1.00) MYCNR4A1ALDH1A1TSHRPOLB
SCHEMBL29573519 0.73 ALDH1A1 (1.00) MYCNR4A1ALDH1A1TSHRPOLB
SCHEMBL30175514 0.73 ALDH1A1 (1.00) MYCNR4A1ALDH1A1TSHRPOLB
SCHEMBL15330208 0.73 ALDH1A1 (0.80) MYCNR4A1ALDH1A1NOTUMPOLB
SCHEMBL30446730 0.72 ALDH1A1 (0.55) ALDH1A1NOTUMTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 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-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 MYC 1/4885NR4A1 3212/4885ALDH1A1 963/4885

“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.