SCHEMBL20869560

SCHEMBL20869560

COc1ccc(COC(=O)C2=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 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ FAP Q12884 1/20 0.56
▸ NR1I2 O75469 4/20 0.54
▸ PPARG P37231 2/20 0.54
▸ PGR P06401 2/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ TDP1 Q9NUW8 7/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ HTR2C P28335 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ SLC22A11 Q9NSA0 1/20 0.51
▸ APEX1 P27695 3/20 0.49
▸ APAF1 O14727 2/20 0.49

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
SCHEMBL20869611 1.00 MAPT (0.56) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20869564 0.93 MAPT (0.60) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20886828 0.93 MAPT (0.60) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20869522 0.91 MAPT (0.45) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20869521 0.91 MAPT (0.45) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20869561 0.91 NR1I2 (0.51) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20854686 0.90 TDP1 (0.60) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20886850 0.90 TDP1 (0.60) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20854699 0.90 TDP1 (0.60) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL20854743 0.86 MAPT (0.47) MAPTALDH1A1USP2CYP3A4HPGD

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 MAPT 2491/4885ALDH1A1 1680/4885USP2 781/4885

“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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