SCHEMBL14090944

SCHEMBL14090944

COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 8/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ P2RY2 P41231 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL4428307 0.93 C3AR1 (0.61) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL14090946 0.92 C3AR1 (0.47) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL27793143 0.87 C3AR1 (0.53) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL4431865 0.85 C3AR1 (0.54) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL4427440 0.84 C3AR1 (0.62) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL4437359 0.84 C3AR1 (0.62) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL27793135 0.84 CA1 (0.52) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL24344785 0.83 TDP1 (0.48) NPSR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4428359 0.83 C3AR1 (0.51) C3AR1NPSR1MEN1KMT2AALDH1A1
SCHEMBL4427285 0.83 C3AR1 (0.65) C3AR1NPSR1MEN1KMT2AALDH1A1

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885NPSR1 474/4885MEN1 2114/4885

“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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