SCHEMBL17211776

SCHEMBL17211776

CCOC(=O)CCc1cc(N)c2c(c1OC)OCO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ IMPDH2 P12268 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TNF P01375 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL20754232 0.74 IMPDH2 (0.50) CYP4F2CYP4A11ALDH1A1GAADPP4
SCHEMBL15811503 0.72 CNKSR1 (0.62) ALDH1A1KMT2AMEN1
SCHEMBL14874444 0.72 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAADPP4
SCHEMBL10607777 0.70 CYP3A4 (0.65) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL8472221 0.69 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL491048 0.69 CYP1A2 (0.55) CYP4F2CYP4A11ALDH1A1DPP4KMT2A
SCHEMBL17722574 0.69 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1GAADPP4
SCHEMBL11210532 0.69 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1GAADPP4
SCHEMBL3492958 0.69 ALDH1A1 (0.53) CYP4F2CYP4A11ALDH1A1GAAKMT2A
SCHEMBL14874587 0.69 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1GAADPP4

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-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
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
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 CYP4F2 3877/4885CYP4A11 3758/4885ALDH1A1 4764/4885

“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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