SCHEMBL3998556

SCHEMBL3998556

COC(=O)C[C@H](NC(=O)c1cc(Br)ccc1N)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TACR3 P29371 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DCAF1 Q9Y4B6 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL3996956 1.00 POLB (0.45) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL3992792 0.90 POLB (0.46) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL3979415 0.90 TACR3 (0.44) TACR3ROCK2ROCK1DCAF1THRB
SCHEMBL5926851 0.90 TACR3 (0.44) TACR3ROCK2ROCK1DCAF1THRB
SCHEMBL5927163 0.87 POLB (0.43) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL3972848 0.87 POLB (0.53) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL5926396 0.86 LRRK2 (0.52) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL5926712 0.86 POLB (0.42) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL5926782 0.86 POLB (0.42) POLBMEN1KMT2ATACR3ROCK2
SCHEMBL5927047 0.85 POLB (0.41) POLBMEN1KMT2ATACR3ROCK2

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 9 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-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
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP 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
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
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 (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 POLB 3571/4885MEN1 1372/4885KMT2A 3655/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 POLB 3935/4885MEN1 3448/4885KMT2A 2112/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 POLB 2588/4885MEN1 3738/4885KMT2A 1337/4885

“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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