SCHEMBL14090802

SCHEMBL14090802

CC(C)/N=C(\NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 14/20 0.40
▸ PDPK1 O15530 2/20 0.36
▸ MME P08473 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ CAPN1 P07384 1/20 0.32

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
SCHEMBL14090995 0.89 NPSR1 (0.41) —
SCHEMBL14115687 0.87 C3AR1 (0.37) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL14090794 0.87 C3AR1 (0.37) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL4429465 0.85 C3AR1 (0.50) C3AR1
SCHEMBL4988947 0.85 FOLH1 (0.44) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL4989708 0.83 C3AR1 (0.41) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL14147184 0.83 C3AR1 (0.41) C3AR1PDPK1MMEBRD4FOLH1
SCHEMBL14091004 0.83 C3AR1 (0.47) C3AR1
SCHEMBL4566055 0.82 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4991622 0.82 C3AR1 (0.45) C3AR1PDPK1

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — US disclosed
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 1/4885PDPK1 2942/4885MME 436/4885

“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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