SCHEMBL25940499

SCHEMBL25940499

CC(=O)Cn1nc(C(C)=O)c2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.47
▸ CFD P00746 7/20 0.47
▸ HCAR3 P49019 2/20 0.39
▸ PTGER4 P35408 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL29855020 0.84 CFD (0.43) SLC22A12CFDHCAR3
SCHEMBL20487924 0.84 CFD (0.43) SLC22A12CFDHCAR3
SCHEMBL25926111 0.82 CFD (0.39) SLC22A12CFD
SCHEMBL25940602 0.81 TDP1 (0.48) CFDMAPTKMT2A
SCHEMBL12480012 0.79 CFD (0.48) CFD
SCHEMBL25940616 0.76 ALDH1A1 (0.38) CFDMAPT
SCHEMBL18554320 0.76 ESR1 (0.42) CFD
SCHEMBL19208536 0.76 ELANE (0.41) SLC22A12CFDMAPTKMT2A
SCHEMBL29781683 0.76 ELANE (0.41) SLC22A12CFDMAPTKMT2A
SCHEMBL25925430 0.76 CFD (0.49) CFD

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH SLC22A12 2843/4885CFD 1/4885HCAR3 3158/4885

“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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