SCHEMBL29449283

SCHEMBL29449283

Nc1c(Cl)cc(C(O)C(=O)O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TSHR P16473 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HSD11B1 P28845 4/20 0.37
▸ BLM P54132 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11451055 0.83 LMNA (0.48) LMNAMAPK1TSHRCYP3A4ALDH1A1
SCHEMBL11491180 0.83 LMNA (0.48) LMNAMAPK1TSHRCYP3A4ALDH1A1
SCHEMBL11528672 0.81 HSD17B10 (0.54) LMNAMAPK1TSHRCYP3A4ALDH1A1
SCHEMBL1573247 0.76 LMNA (0.50) LMNAMAPK1TSHRKDM4EALDH1A1
SCHEMBL1573246 0.76 LMNA (0.50) LMNAMAPK1TSHRKDM4EALDH1A1
SCHEMBL2346696 0.75 LMNA (0.50) LMNAMAPK1TSHRALDH1A1BLM
SCHEMBL2346690 0.75 LMNA (0.50) LMNAMAPK1TSHRALDH1A1BLM
Methane SCHEMBL9139725 0.73 LMNA (0.48) LMNAMAPK1TSHRALDH1A1BLM
SCHEMBL9446695 0.72 LMNA (0.46) LMNAMAPK1TSHRKDM4EALDH1A1
SCHEMBL6395202 0.72 BLM (0.57) LMNAMAPK1TSHRADRB2ADRB1

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 4 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
EP-2999711-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-06-29 — — EP disclosed
CN-106232617-B Polymyxin derivatives and their use in combination therapy with different antibiotics 云顶新耀医药科技有限公司 2022-06-24 — — CN disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 — — EP 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 LMNA 1978/4885MAPK1 3243/4885TSHR 1066/4885

“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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