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Sugi Predict / Compounds / SCHEMBL670573

SCHEMBL670573

SCHEMBL670573

O=Cc1cc(Cl)c(-c2ccc(F)c(F)c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ FASN P49327 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PTGS2 P35354 6/20 0.34
▸ AR P10275 1/20 0.34
▸ PTGS1 P23219 3/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ DRD1 P21728 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
SCHEMBL18001913 0.82 KIF11 (0.44) ALDH1A1KIF11FASNHSD17B10CYP17A1
SCHEMBL670319 0.81 ALDH1A1 (0.45) ALDH1A1KIF11HSD17B10ALDH1A3PTGS2
SCHEMBL10060152 0.75 HSD17B10 (0.56) ALDH1A1KIF11HSD17B10ALDH1A3ERN1
SCHEMBL3457040 0.75 KIF11 (0.65) ALDH1A1KIF11HSD17B10CYP17A1CYP11B1
SCHEMBL6702064 0.74 ALDH5A1 (0.50) ALDH1A1ALDH1A3PTGS2ERN1
SCHEMBL31227781 0.74 AHR (0.46) ALDH1A1KIF11
SCHEMBL29472390 0.72 ALDH1A1 (0.64) ALDH1A1KIF11HSD17B10ALDH1A3PTGS2
SCHEMBL42757 0.72 ALDH1A1 (0.64) ALDH1A1KIF11HSD17B10ALDH1A3PTGS2
SCHEMBL16056566 0.71 ALDH1A1 (0.48) ALDH1A1HSD17B10ARERN1TDP1
Hydrochloric Acid SCHEMBL30783012 0.71 ALDH1A1 (0.61) ALDH1A1KIF11HSD17B10ALDH1A3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 ALDH1A1 1467/4885KIF11 4226/4885FASN 910/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ALDH1A1 1103/4885KIF11 3478/4885FASN 892/4885

“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.