SCHEMBL4827795

SCHEMBL4827795

COC(=O)[C@H](Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.59
KIFC1 Q9BW19 13/20 0.54
GPR34 Q9UPC5 1/20 0.47
MME P08473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4831455 0.97 CDK2 (0.62) CDK2KIFC1GPR34MMECYP1A2
SCHEMBL4831769 0.95 CDK2 (0.60) CDK2KIFC1GPR34MMECYP1A2
SCHEMBL4829734 0.95 CDK2 (0.56) CDK2KIFC1GPR34
SCHEMBL5927451 0.95 CDK2 (0.60) CDK2KIFC1GPR34MMECYP1A2
SCHEMBL4831774 0.95 CDK2 (0.60) CDK2KIFC1GPR34MMECYP1A2
SCHEMBL5926967 0.95 CDK2 (0.62) CDK2KIFC1GPR34MME
SCHEMBL5927077 0.94 CDK2 (0.52) CDK2KIFC1
SCHEMBL13986710 0.94 CDK2 (0.52) CDK2KIFC1
SCHEMBL5926470 0.92 CDK2 (0.57) CDK2KIFC1
SCHEMBL5926266 0.92 CDK2 (0.57) CDK2KIFC1GPR34MMECYP1A2

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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 (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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CDK2 1006/4885KIFC1 4489/4885GPR34 4272/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CDK2 456/4885KIFC1 2072/4885GPR34 2331/4885

“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.