Sugi Predict

Sugi Predict / Compounds / SCHEMBL4829649

SCHEMBL4829649

SCHEMBL4829649

COC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.53
▸ HDAC1 Q13547 6/20 0.51
▸ HDAC6 Q9UBN7 6/20 0.51
▸ TACR3 P29371 1/20 0.50
▸ KDR P35968 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ELANE P08246 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45

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
SCHEMBL4831913 0.94 CDK2 (0.53) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4831785 0.94 CDK2 (0.55) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4831777 0.94 CDK2 (0.55) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4829792 0.92 CDK2 (0.59) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4829786 0.92 CDK2 (0.59) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4831600 0.89 KDR (0.54) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL4831594 0.89 KDR (0.54) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL5926398 0.88 CDK2 (0.52) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL6099076 0.87 CDK2 (0.59) CDK2HDAC1HDAC6TACR3KDR
SCHEMBL5926311 0.87 CDK2 (0.57) CDK2HDAC1HDAC6TACR3KDR

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-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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CDK2 1006/4885HDAC1 656/4885HDAC6 518/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CDK2 456/4885HDAC1 1171/4885HDAC6 1063/4885

“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.