SCHEMBL24263657

SCHEMBL24263657

CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CSC12)c1nsc(N)n1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.54
▸ PGR P06401 4/20 0.54
▸ PPARG P37231 3/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ TDP1 Q9NUW8 6/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ HTR2C P28335 1/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.51
▸ SLC22A8 Q8TCC7 2/20 0.51
▸ SLC22A11 Q9NSA0 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ KMT2A Q03164 1/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ DAO P14920 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ APAF1 O14727 2/20 0.44
▸ APEX1 P27695 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL9012912 0.97 NR1I2 (0.52) NR1I2PGRPPARGESR1TDP1
Trifluoroacetic Acid SCHEMBL9012917 0.97 NR1I2 (0.52) NR1I2PGRPPARGESR1TDP1
SCHEMBL5493394 0.93 NR1I2 (0.49) NR1I2PGRPPARGESR1TDP1
SCHEMBL4205225 0.93 NR1I2 (0.49) NR1I2PGRPPARGESR1TDP1
SCHEMBL17897732 0.93 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL16156786 0.93 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL15100214 0.93 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL14409663 0.93 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL14885179 0.93 NR1I2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL9781665 0.92 NR1I2 (0.54) NR1I2PGRPPARGESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542279-B2 Solid forms of ceftolozane and processes for preparing MERCK SHARP & DOHME LLC (US) 2023-01-03 — — US disclosed
US-20220056045-A1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING MERCK SHARP & DOHME CORP. (US) 2022-02-24 — — 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 (2 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-11542279-B2 Solid forms of ceftolozane and processes for preparing PPP1CC, CCNC, AMPD3 NR1I2 3016/4885PGR 4876/4885PPARG 3202/4885
US-20220056045-A1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING PPP1CC, CCNC, AMPD3 NR1I2 3016/4885PGR 4876/4885PPARG 3202/4885

“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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