Sugi Predict

Sugi Predict / Compounds / SCHEMBL15714705

SCHEMBL15714705

SCHEMBL15714705

C=Cc1ccc(C(=O)OCC)c(-n2c(C)ccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.54
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ MYC P01106 7/20 0.45
▸ GABRA1 P14867 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 2/20 0.42

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
SCHEMBL21052519 0.82 MCL1 (0.57) MCL1HPGDGABRA1GABRG2GABRB3
SCHEMBL1965264 0.81 MCL1 (0.56) MCL1HPGDGABRA1GABRG2GABRB3
SCHEMBL15714691 0.80 MYC (0.54) HPGDHTTMYCGABRA1GABRA3
SCHEMBL14321375 0.80 MCL1 (0.55) MCL1HPGDGABRA1GABRG2GABRB3
SCHEMBL18499397 0.79 MCL1 (0.44) MCL1HPGDGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL11680072 0.79 ALDH1A1 (0.51) MCL1HPGDGABRA1GABRG2GABRB3
SCHEMBL6072487 0.78 MCL1 (0.54) MCL1HPGDGABRA1GABRG2GABRB3
SCHEMBL14321006 0.78 MCL1 (0.54) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10003520 0.78 MCL1 (0.54) MCL1HPGDCA12CA1CA2
SCHEMBL14321653 0.78 MCL1 (0.54) MCL1HPGDGABRA1GABRG2GABRB3

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 MCL1 77/4885HPGD 1683/4885HTT 552/4885

“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.