SCHEMBL21555849

SCHEMBL21555849

CCCC(=O)C1=C(OC(=O)CC)CC(C(C)CC(C)C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 15/20 0.36
▸ TSHR P16473 1/20 0.34
▸ PTPN1 P18031 3/20 0.31
▸ ACP1 P24666 2/20 0.31
▸ CDC25B P30305 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ HPSE Q9Y251 1/20 0.31

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
SCHEMBL21973204 0.81 PTPN1 (0.36) PRKCATSHRPTPN1ACP1CDC25B
SCHEMBL18940256 0.79 MAOA (0.35) PRKCAPTPN1ACP1CDC25BMAPT
SCHEMBL18940257 0.75 PTPN1 (0.32) PRKCAPTPN1ACP1CDC25BMAPT
SCHEMBL18919859 0.74 CYP1A2 (0.41) PRKCAPTPN1ACP1CDC25BMAPT
SCHEMBL17356820 0.61 PTPN1 (0.38) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL21973203 0.60 MAOA (0.41) TSHRPTPN1ACP1CDC25BMAPT
SCHEMBL18940255 0.60 MAOA (0.41) TSHRPTPN1ACP1CDC25BMAPT
SCHEMBL21555847 0.59 PTPN1 (0.40) TSHRPTPN1ACP1CDC25BMAPT
SCHEMBL18919577 0.56 PTPN1 (0.48) PRKCAPTPN1ACP1CDC25BMAPT
SCHEMBL18919596 0.56 PTPN1 (0.48) PRKCAPTPN1ACP1CDC25BMAPT

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-10933048-B2 Compounds and methods of treating bacterial infections ULTUPHARMA AB (SE) 2021-03-02 — — US disclosed
US-20200138777-A1 COMPOUNDS AND METHODS OF TREATING BACTERIAL INFECTIONS ULTUPHARMA AB (SE) 2020-05-07 — — US disclosed
US-10471043-B2 Compounds and methods of treating bacterial infections ULTUPHARMA AB (SE) 2019-11-12 — — 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 (3 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-10471043-B2 Compounds and methods of treating bacterial infections ELANE, TNF, IL1B PRKCA 3930/4885TSHR 4023/4885PTPN1 3045/4885
US-10933048-B2 Compounds and methods of treating bacterial infections ELANE, TNF, NISCH PRKCA 3898/4885TSHR 4096/4885PTPN1 3158/4885
US-20200138777-A1 COMPOUNDS AND METHODS OF TREATING BACTERIAL INFECTIONS ELANE, TNF, NISCH PRKCA 3898/4885TSHR 4096/4885PTPN1 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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