Sugi Predict

Sugi Predict / Compounds / SCHEMBL3992019

SCHEMBL3992019

SCHEMBL3992019

CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.45
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PRKACA P17612 2/20 0.43
▸ PRKX P51817 2/20 0.43
▸ LIMK1 P53667 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ PRKG1 Q13976 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ PRKG2 Q13237 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ HIPK4 Q8NE63 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CSNK1G1 Q9HCP0 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.42
▸ RPS6KA4 O75676 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL3992025 1.00 ATM (0.45) ATMCTSSCTSKROCK2PRKACA
SCHEMBL3995503 0.89 ATM (0.43) ATMCTSSCTSKMMEACE
SCHEMBL4824319 0.89 ATM (0.43) ATMCTSSCTSKMMEACE
SCHEMBL14885608 0.86 ATM (0.48) ATMCTSSCTSKROCK2PRKACA
SCHEMBL3995427 0.86 MME (0.44) ATMCTSSCTSKMMEECE1
SCHEMBL1912548 0.86 MME (0.52) ATMCTSSCTSKMMEACE
SCHEMBL3995348 0.84 CTSS (0.50) CTSSCTSKACEECE1BCL2
SCHEMBL18589398 0.84 ATM (0.54) ATMCTSSCTSKROCK2PRKACA
SCHEMBL7019352 0.84 ATM (0.54) ATMCTSSCTSKROCK2PRKACA
SCHEMBL31750709 0.84 ATM (0.54) ATMCTSSCTSKROCK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 ATM 2442/4885CTSS 459/4885CTSK 342/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ATM 4214/4885CTSS 1245/4885CTSK 1722/4885

“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.