SCHEMBL1368369

SCHEMBL1368369

CCCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ VDR P11473 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL4014157 0.88 ALDH1A1 (0.53) L3MBTL1KMT2APAX8ALDH1A1CYP3A4
SCHEMBL27633187 0.86 ALDH1A1 (0.52) L3MBTL1KMT2APAX8ALDH1A1CYP3A4
Fluoresone SCHEMBL24999 0.84 PSIP1 (0.58) L3MBTL1KMT2APAX8ALDH1A1CA1
SCHEMBL15434511 0.83 KMT2A (0.49) L3MBTL1KMT2APAX8ALDH1A1CYP3A4
SCHEMBL15013716 0.82 ALDH1A1 (0.56) KMT2APAX8ALDH1A1CYP3A4CYP2C9
SCHEMBL16479240 0.81 KMT2A (0.50) KMT2APAX8ALDH1A1CYP3A4CYP2C9
SCHEMBL92881 0.80 ALDH1A1 (0.72) KMT2APAX8ALDH1A1CYP3A4CYP2C9
SCHEMBL2148722 0.78 GAA (0.69) L3MBTL1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL198253 0.78 PLCG1 (0.61) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7033085 0.78 CA2 (0.64) KMT2APAX8ALDH1A1HSD11B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 — — US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 — — US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 — — US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 — — EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 — — US disclosed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 — — US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 — — WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 — — WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 — — EP disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 — — WO disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — 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 (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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB L3MBTL1 3419/4885KMT2A 1846/4885PAX8 1027/4885
US-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 L3MBTL1 4726/4885KMT2A 2762/4885PAX8 4785/4885
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 L3MBTL1 4821/4885KMT2A 698/4885PAX8 2331/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 L3MBTL1 2031/4885KMT2A 2487/4885PAX8 1683/4885

“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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