SCHEMBL23658187

SCHEMBL23658187

CNCC(Cc1ccccc1)C(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MME P08473 2/20 0.47
▸ LTA4H P09960 2/20 0.47
▸ CPA1 P15085 2/20 0.46
▸ CPA3 P15088 2/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ SLC18A2 Q05940 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL17995281 0.84 CYP1A2 (0.68) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL26521147 0.83 CYP1A2 (0.55) CYP1A2NPC1RAB9AMMELTA4H
SCHEMBL18623970 0.79 CYP1A2 (0.55) CYP1A2NPC1RAB9AMMELTA4H
SCHEMBL19483349 0.79 ANPEP (0.55) CYP1A2NPC1RAB9AMMECPA1
SCHEMBL19483376 0.78 CYP1A2 (0.53) CYP1A2NPC1RAB9AMMELTA4H
SCHEMBL28411865 0.78 CYP1A2 (0.53) CYP1A2NPC1RAB9AMMELTA4H
SCHEMBL7428869 0.78 EPHX2 (0.56) CYP1A2NPC1
SCHEMBL13165582 0.78 CYP1A2 (0.49) CYP1A2NPC1RAB9AMMELTA4H
SCHEMBL17087653 0.77 CYP1A2 (0.52) CYP1A2NPC1RAB9AMMECPA1
SCHEMBL14640223 0.76 TAAR1 (0.53) CYP1A2NPC1RAB9AMMECPA1

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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 — — 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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 CYP1A2 3479/4885NPC1 4455/4885RAB9A 1885/4885

“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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