SCHEMBL16118738

SCHEMBL16118738

CCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.86
▸ HTR2C P28335 1/20 0.86
▸ MAPT P10636 3/20 0.83
▸ PPARG P37231 2/20 0.83
▸ SLC22A6 Q4U2R8 2/20 0.83
▸ SLC22A8 Q8TCC7 2/20 0.83
▸ SLC22A11 Q9NSA0 2/20 0.83
▸ ALB P02768 1/20 0.83
▸ PGR P06401 3/20 0.73
▸ KMT2A Q03164 1/20 0.71
▸ DAO P14920 1/20 0.71
▸ SNCA P37840 1/20 0.71
▸ CYP2J2 P51589 1/20 0.71
▸ TDP1 Q9NUW8 6/20 0.71
▸ APEX1 P27695 3/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71

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
SCHEMBL14594285 1.00 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9658225 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL29587046 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9371771 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679450 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10554693 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10761869 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5679457 0.95 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL25519590 0.94 NR1I2 (0.84) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9593004 0.93 NR1I2 (0.86) NR1I2HTR2CMAPTPPARGSLC22A6

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-20230265480-A1 METHOD FOR DETECTION OF MICROORGANISMS NEMIS TECH AG (CH) 2023-08-24 — — US disclosed
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES NEMIS TECHNOLOGIES AG (CH) 2021-07-15 — — US disclosed
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 — — US disclosed
WO-2014152763-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CUBIST PHARMACEUTICALS, INC. (US) 2014-09-25 — — WO 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-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES VEGFA, GUSB, NR2E3 NR1I2 1440/4885HTR2C 3765/4885MAPT 3254/4885

“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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