SCHEMBL14551872

SCHEMBL14551872

COc1cc(Cl)cc(OBO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A1 P04798 3/20 0.37
▸ CYP1B1 Q16678 3/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ ABCB1 P08183 3/20 0.37
▸ BCR P11274 3/20 0.37
▸ AHR P35869 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ P2RX1 P51575 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP4B1 P13584 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP3A5 P20815 1/20 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
SCHEMBL16303509 0.89 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL14664933 0.84 TSHR (0.42) ALDH1A1CYP3A4MAPTCYP2C19HPGD
SCHEMBL15521815 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL21263 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL1816933 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL28298270 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL14551330 0.79 ALDH1A1 (0.33) ALDH1A1CYP3A4MAPK1
SCHEMBL12093245 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL811578 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1ABL1ABCB1
SCHEMBL3439547 0.75 EPAS1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 — — US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 — — US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 — — US disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 — — US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 — — 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 (3 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-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 ALDH1A1 2216/4885CYP1A1 1800/4885CYP1B1 1071/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 ALDH1A1 601/4885CYP1A1 555/4885CYP1B1 358/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR ALDH1A1 1773/4885CYP1A1 1045/4885CYP1B1 853/4885

“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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