SCHEMBL18148207

SCHEMBL18148207

COc1c(C=CC(=O)NCc2ccco2)c(NS(=O)(=O)c2nccs2)cc2c1C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HPGD P15428 7/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CNKSR1 Q969H4 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ POLB P06746 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL18148204 1.00 PTGS1 (0.41) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148059 0.87 PTGS1 (0.40) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148058 0.87 PTGS1 (0.40) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148054 0.80 ALDH1A1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148053 0.80 ALDH1A1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18147961 0.80 ALDH1A1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18147965 0.80 ALDH1A1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148019 0.79 CNKSR1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148017 0.79 CNKSR1 (0.38) PTGS1PTGS2HPGDRAB9ACNKSR1
SCHEMBL18148187 0.74 ALDH1A1 (0.45) HPGDRAB9AALDH1A1MAPTLMNA

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 4 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
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 PTGS1 3456/4885PTGS2 3943/4885HPGD 3849/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 PTGS1 3456/4885PTGS2 3943/4885HPGD 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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