SCHEMBL5859934

SCHEMBL5859934

Fc1cc(F)c(F)c([Mg]Br)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL2578118 0.71 CES2 (0.37) CA1CA12CES2CES1
SCHEMBL2347207 0.71 CES2 (0.36) CES2CES1
SCHEMBL6736521 0.68 TDP1 (0.31)
SCHEMBL1445878 0.67
SCHEMBL22342296 0.67 TSHR (0.35)
SCHEMBL29610239 0.67
SCHEMBL41646 0.66 CA1 (0.43) CA1CA2CA4CA12CA7
SCHEMBL7702552 0.66 CA1 (0.43) CA1CA2CA4CA12CA7
SCHEMBL439846 0.65 CA1 (0.38) CA1CA2CA4CA12CA7
SCHEMBL1445920 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135478-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-11-14 US disclosed
US-7012079-B1 Optically pure camptothecin analogues SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-14 US disclosed
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-17 US disclosed
US-6815546-B2 ANTICANCER AGENTS SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-11-09 US disclosed
EP-0995753-B1 Method for manufacturing fluoroaryl magnesium halide NIPPON CATALYTIC CHEM IND (JP) 2004-02-18 EP disclosed
US-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-01-02 US disclosed
US-6235222-B1 REACTING, IN SOLVENT CONTAINING CHAIN ETHER SOLVENT, HYDROCARBON MAGNESIUM HALIDE WITH FLUOROARYL HALIDE NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-22 US disclosed
EP-0995753-A2 Method for manufacturing fluoroaryl magnesium halide Nippon Shokubai Co., Ltd. (JP) 2000-04-26 EP 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-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them TOP1, TOP2A, TYMP CA1 3737/4885CA2 4145/4885CA4 1894/4885
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione MCL1, BRCA1, API5 CA1 912/4885CA2 2881/4885CA4 1652/4885

“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.