SCHEMBL4797601

SCHEMBL4797601

N#Cc1cccc(C[C]=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
IDH1 O75874 1/20 0.47
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.44
FFAR1 O14842 2/20 0.43
GSK3B P49841 1/20 0.43
DAO P14920 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FOLH1 Q04609 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3063453 0.83 ENPP2 (0.53) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL5643624 0.81 MEN1 (0.52) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL6895272 0.80 MEN1 (0.41) IDH1CYP19A1ENPP2
SCHEMBL11686550 0.80 GLA (0.47) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL595713 0.79 GLA (0.54) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL2153847 0.79 HRH3 (0.59) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL2154019 0.79 GLA (0.53) GLAMEP1AMEP1BCYP19A1CYP11B1
SCHEMBL4196662 0.78 HRH3 (0.54) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL5090668 0.77 GLA (0.51) GLAIDH1MEP1AMEP1BCYP19A1
SCHEMBL25588020 0.76 KDM1A (0.51) GLAMEP1AMEP1BCYP19A1CYP11B1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-0136788-B1 PROCESS FOR PREPARING PENICILLIN AND CEPHALOSPORIN SULFONES ELI LILLY AND COMPANY (US) 1988-12-07 EP disclosed
EP-0112135-B1 BROMINATION OF CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed
US-4604386-A CONTROL OF GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 EP disclosed
EP-0136788-A1 Process for preparing penicillin and cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-04-10 EP disclosed
US-4502988-A Oxidation process ELI LILLY AND COMPANY (US) 1985-03-05 US disclosed
EP-0037729-A2 Process for penicillin epimerization ELI LILLY AND COMPANY (US) 1981-10-14 EP disclosed
US-4293495-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4293493-A Azetidinone alcohol disulfides and process for cyclization ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3960844-A Preparation of 6-acylamino-2-methyl-2-halomethyl penams ELI LILLY AND COMPANY (US) 1976-06-01 US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 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-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 GLA 4541/4885IDH1 1608/4885MEP1A 2883/4885

“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.