Sugi Predict

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SCHEMBL2993338

SCHEMBL2993338

CNCc1cc(C(=O)OC(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ MLYCD O95822 1/20 0.40
▸ TACR1 P25103 5/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ BRAF P15056 2/20 0.37
▸ CETP P11597 1/20 0.36

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
SCHEMBL2993344 0.83 NOTUM (0.43) NOTUMTACR1PRKCAPRKCDSLC7A5
SCHEMBL3006384 0.81 MRGPRX4 (0.48) NOTUMMLYCDTACR1MTORCES2
SCHEMBL21712030 0.80 NOTUM (0.51) NOTUMMLYCDTACR1MTORCACNA1H
SCHEMBL3008695 0.76 CES2 (0.48) NOTUMCES2PSEN1PSEN2APH1B
SCHEMBL545480 0.76 CACNA1H (0.48) MLYCDTACR1MTORCACNA1HCACNA1B
SCHEMBL27925003 0.75 NOTUM (0.46) NOTUMPRKCAPRKCDSLC7A5CES2
SCHEMBL3010098 0.75 NOTUM (0.71) NOTUMCES2CACNA1HCACNA1BCACNA1C
SCHEMBL681508 0.75 IDO1 (0.47) MLYCDTACR1MTORKCNH2
SCHEMBL13887001 0.74 CACNA1H (0.54) MLYCDTACR1MTORCACNA1HCACNA1B
Hydrochloric Acid SCHEMBL1970955 0.73 IDO1 (0.48) MLYCDTACR1MTORKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 — — US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 — — US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885MLYCD 2993/4885TACR1 2509/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885MLYCD 2993/4885TACR1 2509/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885MLYCD 2993/4885TACR1 2509/4885

“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.