SCHEMBL10309796

SCHEMBL10309796

CC(=O)O[C@H]1[C@H](C)[C@@H](C)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ELANE P08246 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
LGALS8 O00214 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL24603586 0.90 ALDH1A1 (0.40) ALDH1A1ELANELMNATSHRKMT2A
SCHEMBL2028686 0.90 ALDH1A1 (0.40) ALDH1A1ELANELMNATSHRKMT2A
SCHEMBL22689142 0.80 ALDH1A1 (0.33) ALDH1A1ELANETSHRCYP2D6LGALS8
SCHEMBL16062780 0.78 NT5E (0.43) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL12729487 0.77 CYP2D6 (0.39) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL12757246 0.76 NT5E (0.37) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL28656205 0.76 ALDH1A1 (0.35) ALDH1A1TSHRKMT2AMAPK1LGALS8
SCHEMBL22423316 0.76 NT5E (0.37) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL1034819 0.76 NT5E (0.37) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL12302601 0.76 NT5E (0.45) ALDH1A1LMNATSHRKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853175-B2 Phenethylsulfone isoindoline derivatives and their use CELGENE CORPORATION (US) 2014-10-07 US disclosed
US-20120178708-A1 PHENETHYLSULFONE ISOINDOLINE DERIVATIVES AND THEIR USE CELGENE CORPORATION (US) 2012-07-12 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-20120178708-A1 PHENETHYLSULFONE ISOINDOLINE DERIVATIVES AND THEIR USE CYP3A43, UGT2B7, CYP2D6 ALDH1A1 2224/4885ELANE 506/4885LMNA 2685/4885

“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.