Sugi Predict

Sugi Predict / Compounds / SCHEMBL16865379

SCHEMBL16865379

SCHEMBL16865379

Cc1ccc(/C=C/[C@H](O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ KLK5 Q9Y337 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL16865381 1.00 SPHK1 (0.42) SPHK1PPARGPPARASPHK2CA1
SCHEMBL16865349 1.00 SPHK1 (0.42) SPHK1PPARGPPARASPHK2CA1
SCHEMBL16865332 0.89 PPARA (0.43) SPHK1PPARGPPARASPHK2CA1
SCHEMBL16865351 0.89 PPARA (0.43) SPHK1PPARGPPARASPHK2CA1
SCHEMBL16865382 0.89 PPARA (0.43) SPHK1PPARGPPARASPHK2CA1
SCHEMBL16865380 0.89 KLK5 (0.46) SPHK1PPARGPPARAKLK5MAPT
SCHEMBL16865378 0.89 KLK5 (0.46) SPHK1PPARGPPARAKLK5MAPT
SCHEMBL21287904 0.87 PPARA (0.40) PPARGPPARACA1CA2CA7
SCHEMBL16865383 0.85 PPARG (0.46) SPHK1PPARGPPARAALDH1A1TSHR
SCHEMBL20651355 0.83 SPHK1 (0.65) SPHK1PPARGPPARASPHK2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683257-B2 Methods and intermediates for synthesizing SK1-I ENZO BIOCHEM, INC. (US) 2020-06-16 — — US disclosed
US-20200131113-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I ENZO BIOCHEM, INC. (US) 2020-04-30 — — US disclosed
US-20190256453-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I ENZO BIOCHEM, INC. (US) 2019-08-22 — — US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 — — US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 — — US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 — — US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 — — 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 (4 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-10683257-B2 Methods and intermediates for synthesizing SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885PPARG 3777/4885PPARA 3864/4885
US-20200131113-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885PPARG 3777/4885PPARA 3864/4885
US-20190256453-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885PPARG 3777/4885PPARA 3864/4885
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN SPHK1 429/4885PPARG 354/4885PPARA 191/4885

“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.