SCHEMBL19407657

SCHEMBL19407657

COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3C(NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(N)n4)C(=O)N23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ MAPT P10636 4/20 0.56
▸ PPARG P37231 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ SLC22A11 Q9NSA0 1/20 0.56
▸ PTGS1 P23219 2/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ PGR P06401 2/20 0.55
▸ TDP1 Q9NUW8 5/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ APEX1 P27695 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53

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
SCHEMBL12968958 1.00 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGALB
SCHEMBL21307548 1.00 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGALB
SCHEMBL17528943 1.00 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGALB
SCHEMBL17529039 0.91 NR1I2 (0.68) NR1I2HTR2CMAPTPPARGALB
SCHEMBL9848034 0.91 NR1I2 (0.45) NR1I2HTR2CMAPTPPARGALB
SCHEMBL12969278 0.91 NR1I2 (0.45) NR1I2HTR2CMAPTPPARGALB
SCHEMBL8983019 0.91 NR1I2 (0.45) NR1I2HTR2CMAPTPPARGALB
SCHEMBL19726067 0.91 NR1I2 (0.45) NR1I2HTR2CMAPTPPARGALB
SCHEMBL8983035 0.91 NR1I2 (0.45) NR1I2HTR2CMAPTPPARGALB
SCHEMBL8756835 0.90 NR1I2 (0.67) NR1I2HTR2CMAPTPPARGALB

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-11059835-B2 Synthesis of cephalosporin compounds MERCK SHARP & DOHME CORP. (US) 2021-07-13 — — US disclosed
US-20200385404-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2020-12-10 — — US disclosed
EP-3180347-B1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-23 — — EP disclosed
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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-20200385404-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, DDT, PEPD NR1I2 3775/4885HTR2C 3575/4885MAPT 3928/4885
US-11059835-B2 Synthesis of cephalosporin compounds COASY, DDT, PEPD NR1I2 3775/4885HTR2C 3575/4885MAPT 3928/4885
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, NRDC, NUCB2 NR1I2 2678/4885HTR2C 3877/4885MAPT 4013/4885

“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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