SCHEMBL2028686

SCHEMBL2028686

CC(=O)OC1C(OC(=N)C(Cl)(Cl)Cl)OC(C(=O)OCc2ccccc2)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
ELANE P08246 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.35
PTPN1 P18031 2/20 0.34
LGALS8 O00214 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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 1.00 ALDH1A1 (0.40) ALDH1A1CYP2D6MAPK1TSHRELANE
SCHEMBL22689142 0.90 ALDH1A1 (0.33) ALDH1A1CYP2D6TSHRELANELGALS8
SCHEMBL10309796 0.90 ALDH1A1 (0.39) ALDH1A1CYP2D6MAPK1TSHRELANE
SCHEMBL22074006 0.82 GJB2 (0.42) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL29551763 0.82 CA2 (0.35) CYP2D6TSHRCA12CA1CA2
SCHEMBL16317730 0.81 CYP2D6 (0.47) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL2449623 0.81 CYP2D6 (0.47) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL7516237 0.81 CYP2D6 (0.47) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL22423316 0.80 NT5E (0.37) ALDH1A1CYP2D6MAPK1TSHRLMNA
SCHEMBL1034819 0.80 NT5E (0.37) ALDH1A1CYP2D6MAPK1TSHRLMNA

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-8716252-B2 (Methylsulfonyl) ethyl benzene isoindoline derivatives and their pharmaceutical uses CELGENE CORPORATION (US) 2014-05-06 US disclosed
US-20130116204-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2013-05-09 US disclosed
EP-2516395-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR THERAPEUTICAL USES Celgene Corporation (US) 2012-10-31 EP disclosed
WO-2011079091-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR THERAPEUTICAL USES CELGENE CORPORATION (US) 2011-06-30 WO 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-20130116204-A1 (METHYLSULFONYL) ETHYL BENZENE ISOINDOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USES ABCG2, TPMT, CYP2D6 ALDH1A1 2444/4885CYP2D6 3/4885MAPK1 4501/4885

“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.