SCHEMBL15714567

SCHEMBL15714567

CCOC(=O)c1ccccc1-n1c(C(F)(F)F)cc(C(=O)OCC)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NOTUM Q6P988 1/20 0.51
▸ TSHR P16473 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ TNNT2 P45379 1/20 0.44
▸ TNNC1 P63316 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
SCHEMBL28728164 0.86 NOTUM (0.71) MAPTMAPK1NPC1RAB9ANOTUM
SCHEMBL17172478 0.82 MAPK1 (0.60) MAPTMAPK1NPC1RAB9ANOTUM
SCHEMBL15714570 0.80 NOTUM (0.74) NOTUMALDH1A1MYC
SCHEMBL17172445 0.76 MYC (0.71) MAPTMAPK1NPC1RAB9ATSHR
SCHEMBL21257527 0.73 MAPT (0.55) MAPTMAPK1NPC1RAB9ANOTUM
SCHEMBL12934892 0.72 ALDH1A1 (0.59) MAPTMAPK1NPC1RAB9ATSHR
SCHEMBL2026806 0.72 CHRNA7 (0.57) MAPTMAPK1NPC1RAB9ATSHR
SCHEMBL1994129 0.71 TSHR (0.67) TSHRHSD17B10KDM4EALDH1A1PDK2
SCHEMBL2209512 0.70 TSHR (0.65) MAPTMAPK1NPC1RAB9ATSHR
Diethyl Phthalate SCHEMBL22296 0.70 TSHR (1.00) MAPTMAPK1NPC1TSHRHSD17B10

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
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-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 MAPT 2353/4885MAPK1 683/4885NPC1 795/4885

“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.

Send feedback