SCHEMBL18148019

SCHEMBL18148019

COc1c(C=CC(=O)NCc2ccco2)c(NS(=O)(=O)c2nccs2)cc2cc(N3CCOCC3)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNKSR1 Q969H4 3/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ALDH1A1 P00352 11/20 0.36
▸ MAPT P10636 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TP53 P04637 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
SCHEMBL18148017 1.00 CNKSR1 (0.38) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18147965 0.88 ALDH1A1 (0.38) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18147961 0.88 ALDH1A1 (0.38) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148054 0.85 ALDH1A1 (0.38) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148053 0.85 ALDH1A1 (0.38) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148207 0.79 PTGS1 (0.41) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148204 0.79 PTGS1 (0.41) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148058 0.78 PTGS1 (0.40) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148059 0.78 PTGS1 (0.40) CNKSR1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL18148076 0.71 ALDH1A1 (0.42) PTGS1PTGS2ALDH1A1MAPTHPGD

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 CNKSR1 1/4885PTGS1 3456/4885PTGS2 3943/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885PTGS1 3456/4885PTGS2 3943/4885

“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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