SCHEMBL18623970

SCHEMBL18623970

CC(C)C(=O)C(CN)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ CPA3 P15088 3/20 0.49
▸ CPA1 P15085 2/20 0.49
▸ SLC1A3 P43003 1/20 0.49
▸ SLC1A2 P43004 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ ANPEP P15144 2/20 0.48
▸ RNPEP Q9H4A4 1/20 0.48
▸ DNPEP Q9ULA0 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 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
SCHEMBL17087653 0.86 CYP1A2 (0.52) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL19483349 0.82 ANPEP (0.55) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL18637641 0.81 CYP1A2 (0.59) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL23658190 0.81 HTR2A (0.55) CYP1A2CPA1SLC1A3SLC1A2SLC1A1
SCHEMBL558159 0.81 CYP1A2 (0.76) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL5171909 0.81 CYP1A2 (0.76) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL4738634 0.81 CYP1A2 (0.76) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL19483376 0.81 CYP1A2 (0.53) CYP1A2CPA3CPA1SLC1A3SLC1A2
SCHEMBL28411865 0.81 CYP1A2 (0.53) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL13165582 0.80 CYP1A2 (0.49) CYP1A2CPA3CPA1CPB1CPB2

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 3 patents. 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
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 — — 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-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CYP1A2 3529/4885CPA3 1895/4885CPA1 1912/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 CYP1A2 3479/4885CPA3 1773/4885CPA1 1861/4885

“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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