SCHEMBL20869561

SCHEMBL20869561

COc1ccc(COCC2=C(/C=C\c3ccc(CCl)cc3)CS[C@@H]3[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)C(=O)N23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.51
▸ PPARG P37231 2/20 0.51
▸ PGR P06401 2/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ TDP1 Q9NUW8 7/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HTR2C P28335 1/20 0.47
▸ APEX1 P27695 3/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL20869621 0.93 NR1I2 (0.54) NR1I2PPARGPGRESR1TDP1
SCHEMBL20869611 0.91 MAPT (0.56) NR1I2PPARGPGRESR1TDP1
SCHEMBL20869560 0.91 MAPT (0.56) NR1I2PPARGPGRESR1TDP1
SCHEMBL20854686 0.87 TDP1 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20886850 0.87 TDP1 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20854699 0.87 TDP1 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20869564 0.83 MAPT (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20886828 0.83 MAPT (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20869619 0.83 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL20886829 0.82 NR1I2 (0.52) NR1I2PPARGPGRESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100534-A1 Cephem Compounds with Latent Reactive Groups GLADIUS PHARMACEUTICALS INC (CA) 2019-04-04 — — 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-20190100534-A1 Cephem Compounds with Latent Reactive Groups PGLS, GNE, COMT NR1I2 4406/4885PPARG 4537/4885PGR 2399/4885

“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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