SCHEMBL4831636

SCHEMBL4831636

COC(=O)CC(NC(=O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 2/20 0.51
▸ TACR3 P29371 1/20 0.49
▸ CTSA P10619 6/20 0.44
▸ ACLY P53396 3/20 0.42
▸ UTS2R Q9UKP6 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL6100298 0.96 DCAF1 (0.47) DCAF1TACR3CTSAUTS2R
SCHEMBL5926926 0.93 TACR3 (0.48) DCAF1TACR3CTSAACLYKDM4E
SCHEMBL3991901 0.92 DCAF1 (0.50) DCAF1TACR3CTSAACLYKDM4E
SCHEMBL5927139 0.91 UTS2R (0.45) DCAF1TACR3CTSAUTS2RALDH1A1
SCHEMBL5926404 0.90 TACR3 (0.49) DCAF1TACR3CTSAKDM4EALDH1A1
SCHEMBL5926471 0.90 POLB (0.45) DCAF1TACR3CTSAACLYMEN1
SCHEMBL5927440 0.90 CTSA (0.43) DCAF1TACR3CTSAUTS2R
SCHEMBL5926855 0.90 CTSA (0.43) DCAF1TACR3CTSAUTS2R
SCHEMBL5926526 0.90 TACR3 (0.51) DCAF1TACR3CTSAUTS2R
SCHEMBL4827815 0.90 DCAF1 (0.54) DCAF1CTSAACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO claimed
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-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 DCAF1 3718/4885TACR3 4152/4885CTSA 638/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 DCAF1 2372/4885TACR3 3996/4885CTSA 426/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO DCAF1 587/4885TACR3 4530/4885CTSA 1878/4885

“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.

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