Sugi Predict

Sugi Predict / Compounds / SCHEMBL671036

SCHEMBL671036

SCHEMBL671036

CC(C)n1cc(C=O)c2c(-c3cc(F)c(F)cc3F)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MITF O75030 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 8/20 0.32
▸ LMNA P02545 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ IMPDH2 P12268 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTT P42858 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14957551 0.87 MEN1 (0.37) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL672434 0.84 SSTR5 (0.41) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL14957743 0.81 NFATC1 (0.37) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL672431 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14957219 0.79 AKR1C3 (0.35) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL670862 0.76 CYP3A4 (0.34) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL671614 0.76 ALDH1A1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL670893 0.74 ALDH1A1 (0.42) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL672866 0.74 CYP2A6 (0.41) MEN1KMT2AMITFUSP2RAB9A
SCHEMBL35210764 0.70 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4E

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 MEN1 1098/4885KMT2A 3514/4885MITF 1530/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 MEN1 1411/4885KMT2A 3652/4885MITF 2081/4885

“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.