SCHEMBL19487332

SCHEMBL19487332

CCC(=O)NCCSc1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.48
YAP1 P46937 1/20 0.48
TEAD4 Q15561 1/20 0.48
TEAD2 Q15562 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 2/20 0.45
STAT3 P40763 1/20 0.45
MAPK1 P28482 1/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
TRPV1 Q8NER1 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.41

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
SCHEMBL9808177 0.86 HTT (0.59) TEAD1YAP1TEAD4TEAD2ALDH1A1
SCHEMBL19462316 0.86 TRPV1 (0.55) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL19462148 0.84 TRPV1 (0.63) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL19462322 0.84 TRPV1 (0.63) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL19462169 0.79 HTT (0.57) ALDH1A1HTTMAPTGAAHSD17B10
SCHEMBL8387458 0.79 CNR2 (0.54) ALDH1A1HTTMAPTHSD17B10TRPV1
SCHEMBL19487122 0.79 STAT3 (0.51) TEAD1YAP1TEAD4TEAD2ALDH1A1
SCHEMBL14241835 0.78 TEAD1 (0.77) TEAD1YAP1TEAD4TEAD2ALDH1A1
SCHEMBL19461988 0.78 APP (0.41) TEAD1YAP1TEAD4TEAD2ALDH1A1
SCHEMBL9808286 0.78 HTT (0.56) TEAD1YAP1TEAD4TEAD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO disclosed
US-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2015-11-19 US 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-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 TEAD1 1560/4885YAP1 3445/4885TEAD4 1423/4885

“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.