SCHEMBL670788

SCHEMBL670788

O=C(O)c1cc(Cl)c(I)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.65
▸ TPMT P51580 5/20 0.61
▸ TSHR P16473 4/20 0.56
▸ SRD5A2 P31213 1/20 0.48
▸ HCAR1 Q9BXC0 1/20 0.48
▸ PLAU P00749 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ ALOX15 P16050 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SELL P14151 1/20 0.44

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
SCHEMBL30413369 0.89 TTR (0.59) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL26095257 0.89 TTR (0.59) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL23699468 0.87 TTR (0.52) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL8840346 0.87 TTR (0.52) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL11556678 0.81 TTR (0.76) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL7263572 0.81 TTR (0.68) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL31214608 0.79 TTR (0.65) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL543454 0.79 TTR (0.65) TTRTPMTTSHRSRD5A2HCAR1
Fluoride SCHEMBL27668632 0.79 TTR (0.65) TTRTPMTTSHRSRD5A2HCAR1
SCHEMBL737305 0.79 TTR (1.00) TTRTPMTTSHRSRD5A2HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863850-B Biaryl compound and preparation method and application thereof 复旦大学 2021-05-18 — — CN disclosed
US-10844017-B2 Biaryl compound, preparation method and use thereof FUDAN UNIVERSITY (CN) 2020-11-24 — — US disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 — — US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 — — EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 — — EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO disclosed
WO-2004013100-A2 N-[PHENYL(PIPERIDIN-2-YL)METHYL]BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2004-02-12 — — WO disclosed
EP-0279698-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-24 — — EP 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-10844017-B2 Biaryl compound, preparation method and use thereof RORC, RORB, RORA TTR 4248/4885TPMT 972/4885TSHR 1058/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 TTR 3138/4885TPMT 4819/4885TSHR 44/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 TTR 2388/4885TPMT 4772/4885TSHR 47/4885

“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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