SCHEMBL5926601

SCHEMBL5926601

CCCCCCCOc1ccc(Br)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.53
▸ HDAC6 Q9UBN7 8/20 0.53
▸ CNR2 P34972 2/20 0.52
▸ PTPN11 Q06124 5/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ CNR1 P21554 1/20 0.47

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
SCHEMBL3994279 0.93 PTPN11 (0.51) PTPN11PTPN1PTPN6
SCHEMBL4829715 0.93 PTPN11 (0.51) PTPN11PTPN1PTPN6
SCHEMBL3995245 0.91 CNR2 (0.46) HDAC1HDAC6CNR2PTPN11PTPN1
SCHEMBL8334699 0.89 PTPN11 (0.48) HDAC1HDAC6CNR2PTPN11PTPN1
SCHEMBL5926927 0.87 HDAC1 (0.48) HDAC1HDAC6CNR2ABCG2
SCHEMBL5926212 0.87 ABCG2 (0.62) HDAC1HDAC6ABCG2
SCHEMBL4827793 0.87 ABCG2 (0.62) HDAC1HDAC6ABCG2
SCHEMBL4827796 0.87 ABCG2 (0.62) HDAC1HDAC6ABCG2
SCHEMBL5926426 0.86 HDAC1 (0.46) HDAC1HDAC6CNR2ABCG2
SCHEMBL3993038 0.86 HDAC1 (0.51) HDAC1HDAC6CNR2ABCG2CNR1

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 2 patents. 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
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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 (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 HDAC1 656/4885HDAC6 518/4885CNR2 660/4885

“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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