SCHEMBL17211672

SCHEMBL17211672

CC(=O)CCn1c(-c2cccs2)ccc(C(=O)O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.52
KDM4E B2RXH2 14/20 0.52
POLB P06746 10/20 0.52
MAPT P10636 9/20 0.52
HSD17B10 Q99714 8/20 0.52
HPGD P15428 5/20 0.52
NR4A1 P22736 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CASP1 P29466 4/20 0.49
CASP7 P55210 4/20 0.49
GAA P10253 4/20 0.49
ALOX15 P16050 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
GFER P55789 1/20 0.49
PKM P14618 4/20 0.47
APEX1 P27695 1/20 0.46

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
SCHEMBL17211731 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL17213438 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL7285789 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL17211686 0.74 L3MBTL1 (0.44) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13856452 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL7284485 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL17211691 0.66 KDM4E (0.61) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL10586275 0.65 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL9195646 0.65 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMAPTHSD17B10
SCHEMBL27991328 0.65 KDM4E (0.56) ALDH1A1KDM4EMAPTL3MBTL1GAA

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
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 ALDH1A1 4764/4885KDM4E 770/4885POLB 3512/4885

“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.