SCHEMBL18148076

SCHEMBL18148076

COc1c(/C=C/C(=O)NCc2ccco2)c(NS(=O)(=O)c2ccccn2)cc2cnoc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HPGD P15428 7/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 2/20 0.38

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
SCHEMBL18148079 1.00 ALDH1A1 (0.42) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148225 0.88 PTGS1 (0.42) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148226 0.88 PTGS1 (0.42) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18147955 0.81 PTGS1 (0.41) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18147957 0.81 PTGS1 (0.41) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148017 0.71 CNKSR1 (0.38) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148019 0.71 CNKSR1 (0.38) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148189 0.70 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERAB9AL3MBTL1
SCHEMBL18148204 0.70 PTGS1 (0.41) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL18148207 0.70 PTGS1 (0.41) ALDH1A1GAAPTGS1PTGS2HPGD

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 5 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-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
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 4731/4885GAA 3108/4885PTGS1 3456/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885GAA 3108/4885PTGS1 3456/4885

“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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