SCHEMBL18147965

SCHEMBL18147965

COc1c(C=CC(=O)NCc2ccco2)c(NS(=O)(=O)c2nccs2)cc2c(N3CCOCC3)coc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNKSR1 Q969H4 2/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18147961 1.00 ALDH1A1 (0.38) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148054 0.90 ALDH1A1 (0.38) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148053 0.90 ALDH1A1 (0.38) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148019 0.88 CNKSR1 (0.38) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148017 0.88 CNKSR1 (0.38) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148207 0.80 PTGS1 (0.41) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148204 0.80 PTGS1 (0.41) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148058 0.77 PTGS1 (0.40) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148059 0.77 PTGS1 (0.40) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18148076 0.68 ALDH1A1 (0.42) ALDH1A1MAPTHPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 — — US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 — — US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 — — 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 (2 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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885MAPT 2137/4885HPGD 3849/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885MAPT 2137/4885HPGD 3849/4885

“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.

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