SCHEMBL18637641

SCHEMBL18637641

CC(=O)C(CN)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.59
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ CPA3 P15088 3/20 0.52
▸ CPA1 P15085 2/20 0.52
▸ FOLH1 Q04609 1/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ SLC15A1 P46059 1/20 0.51
▸ SLC1A3 P43003 1/20 0.51
▸ SLC1A2 P43004 1/20 0.51
▸ SLC1A1 P43005 1/20 0.51
▸ ANPEP P15144 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.50
▸ LTA4H P09960 3/20 0.49
▸ MME P08473 1/20 0.47

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
SCHEMBL497369 0.88 CYP1A2 (0.68) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL28912638 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4724923 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL40705 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2588080 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL29865739 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL107422 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4451600 0.86 CYP1A2 (0.65) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL18637645 0.85 CYP1A2 (0.55) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL558159 0.84 CYP1A2 (0.76) CYP1A2ALPIPKMPTGS1XIAP

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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 — — 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 (2 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CYP1A2 3529/4885ALPI 2448/4885PKM 817/4885
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CYP1A2 3529/4885ALPI 2448/4885PKM 817/4885

“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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