SCHEMBL5862676

SCHEMBL5862676

CCOC(=O)CC(=O)Nc1cccc(F)c1CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 2/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ELANE P08246 1/20 0.43
BRD4 O60885 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 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
SCHEMBL14967653 0.84 MAPT (0.56) NLRP3KMT2AMEN1HPGDALDH1A1
SCHEMBL5528623 0.80 SMN1; SMN2 (0.50) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL24420089 0.76 CA1 (0.42) HPGDALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL11190983 0.75 SMN1; SMN2 (0.62) NLRP3KMT2AMEN1HPGDALDH1A1
SCHEMBL9863061 0.74 KMT2A (0.54) NLRP3KMT2AMEN1HPGDPKM
SCHEMBL11431555 0.73 ALDH1A1 (0.71) HPGDALDH1A1POLBTSHRMAPT
SCHEMBL8231868 0.73 ALDH1A1 (0.54) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL25474868 0.73 MEN1 (0.57) KMT2AMEN1HPGDPOLBPKM
SCHEMBL29911395 0.73 ALDH1A1 (0.71) HPGDALDH1A1POLBTSHRMAPT
SCHEMBL26215402 0.73 MEN1 (0.69) NLRP3KMT2AMEN1HPGDALDH1A1

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 5 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
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

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 NLRP3 4708/4885KMT2A 4064/4885MEN1 62/4885
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 NLRP3 4775/4885KMT2A 1052/4885MEN1 578/4885

“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.