SCHEMBL6744963

SCHEMBL6744963

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.62
MME P08473 7/20 0.62
ACE2 Q9BYF1 7/20 0.62
PTPN1 P18031 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
CPA1 P15085 6/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
PDK1 Q15118 1/20 0.57
PDK2 Q15119 1/20 0.57
PDK3 Q15120 1/20 0.57
PDK4 Q16654 1/20 0.57
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
ITGB1 P05556 1/20 0.55
ITGA4 P13612 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL5926142 1.00 ACE (0.62) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL8165005 0.93 PTPN1 (0.67) ACEPTPN1L3MBTL1CA2CA1
SCHEMBL8165003 0.93 PTPN1 (0.67) ACEPTPN1L3MBTL1CA2CA1
SCHEMBL3989759 0.92 ACE (0.56) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL15037300 0.91 MME (0.53) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL15037188 0.91 MME (0.53) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL22449043 0.91 MME (0.53) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL22448948 0.91 MME (0.53) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL22449308 0.90 ITGA4 (0.58) ACEMMEACE2PTPN1L3MBTL1
SCHEMBL15037322 0.90 ITGA4 (0.58) ACEMMEACE2PTPN1L3MBTL1

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-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 (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-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 ACE 316/4885MME 1231/4885ACE2 925/4885

“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.