SCHEMBL5926604

SCHEMBL5926604

CCCCCCCOc1ccc(Br)cc1C(=O)NC(CC(=O)OC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.47
▸ TACR3 P29371 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ C5 P01031 1/20 0.41
▸ GPR88 Q9GZN0 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMPD1 P17405 3/20 0.39
▸ S1PR3 Q99500 1/20 0.39

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
SCHEMBL3994280 0.93 PTPN11 (0.48) PTPN11TACR3PTPN1PTPN6LMNA
SCHEMBL3995248 0.91 PTPN11 (0.46) PTPN11TACR3POLBMEN1KMT2A
SCHEMBL5926667 0.89 PTPN11 (0.45) PTPN11TACR3POLBMEN1KMT2A
SCHEMBL5926932 0.86 MEN1 (0.42) TACR3POLBMEN1KMT2ALMNA
SCHEMBL3993040 0.85 ALDH1A1 (0.43) POLBMEN1KMT2AALDH1A1THRB
SCHEMBL5926215 0.85 POLB (0.50) TACR3POLBMEN1KMT2ALMNA
SCHEMBL5926431 0.85 MEN1 (0.42) TACR3POLBMEN1KMT2ALMNA
SCHEMBL3998698 0.83 KCNQ3 (0.42) PTPN11POLBMEN1KMT2APPARA
SCHEMBL5926601 0.83 HDAC1 (0.53) PTPN11PTPN1PTPN6
SCHEMBL3994279 0.82 PTPN11 (0.51) PTPN11PTPN1PTPN6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — 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 (1 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 PTPN11 2131/4885TACR3 3996/4885POLB 3935/4885

“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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