SCHEMBL6362891

SCHEMBL6362891

CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.55
▸ NR1I2 O75469 5/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ ABCB11 O95342 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALB P02768 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC22A11 Q9NSA0 1/20 0.47
▸ PGR P06401 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL6362892 1.00 PTGS1 (0.55) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL11283556 0.92 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL11283553 0.92 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9827888 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9623560 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9361761 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9827559 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9361767 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL9623563 0.92 PTGS1 (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10834932 0.91 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267092-A1 Novel cephalosporin compounds and process for preparing the same LG LEF SCIENCES LTD. (KR) 2005-12-01 — — US disclosed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — 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-20050267092-A1 Novel cephalosporin compounds and process for preparing the same PEPD, CTRC, CHLSN PTGS1 4041/4885NR1I2 1731/4885HTR2C 2321/4885

“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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