SCHEMBL3960052

SCHEMBL3960052

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nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.56
CPB1 P15086 1/20 0.56
CPA3 P15088 1/20 0.56
CPB2 Q96IY4 1/20 0.56
FOLH1 Q04609 2/20 0.50
PTPN1 P18031 1/20 0.42
MME P08473 6/20 0.42
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL3960051 1.00 CPA1 (0.56) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3960054 1.00 CPA1 (0.56) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL4609155 0.83 POLB (0.41) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3960108 0.83 POLB (0.41) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL8817674 0.80 TTR (0.48) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3517307 0.79 CPA1 (0.47) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3517309 0.79 CPA1 (0.47) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL2166740 0.77 KDM6B (0.53) FOLH1PTPN1TTRCYP2C9TSHR
SCHEMBL2166747 0.77 KDM6B (0.53) FOLH1PTPN1TTRCYP2C9TSHR
SCHEMBL4478582 0.76 CPA1 (0.45) CPA1CPB1CPA3CPB2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CPA1 621/4885CPB1 1738/4885CPA3 986/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CPA1 511/4885CPB1 1459/4885CPA3 688/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CPA1 511/4885CPB1 1459/4885CPA3 688/4885

“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.