SCHEMBL9766170

SCHEMBL9766170

O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ MAPT P10636 5/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ PLCG1 P19174 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MEN1 O00255 2/20 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
SCHEMBL9100866 1.00 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9766176 1.00 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL27275320 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL11015972 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9099692 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL1132359 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9642504 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL10579475 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL7804219 0.92 TDP1 (0.59) TDP1CTDSP1MAPK1MAPTPOLB
SCHEMBL9699338 0.91 TDP1 (0.58) TDP1CTDSP1MAPK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 — — US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 — — US disclosed
US-20100261897-A1 Improved Process For the Preparation of Cephalosporin Antibiotic Intermediate ORCHID CHEMICALS & PHARMACEUTICALS LTD, (IN) 2010-10-14 — — US disclosed
US-5064649-A CEPHALOSPORIN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-11-12 — — US disclosed
EP-0359536-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1990-03-21 — — EP disclosed
US-4668781-A Ceph-3-one compounds and process for their manufacture CIBA-GEIGY CORPORATION (US) 1987-05-26 — — US disclosed
US-4591642-A Cephem and cepham derivatives CIBA-GEIGY CORPORATION (US) 1986-05-27 — — US disclosed
US-4477658-A Process for the preparation of cepham and cephem compounds CIBA-GEIGY CORPORATION (US) 1984-10-16 — — US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 — — US disclosed
US-4389524-A Cepham compounds CIBA-GEIGY CORPORATION (US) 1983-06-21 — — US disclosed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 — — US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 — — 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-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS PGLS, ENGASE, BPHL TDP1 2256/4885CTDSP1 1636/4885MAPK1 4733/4885
US-20100261897-A1 Improved Process For the Preparation of Cephalosporin Antibiotic Intermediate TFPI, TFPI2, DHCR7 TDP1 2809/4885CTDSP1 104/4885MAPK1 721/4885

“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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