SCHEMBL6423100

SCHEMBL6423100

Cc1cc(O)c(C(=O)C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 11/20 0.52
KMT2A Q03164 11/20 0.52
POLB P06746 3/20 0.50
USP2 O75604 3/20 0.49
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 2/20 0.48
PLIN1 O60240 1/20 0.48
ALOX12 P18054 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48
PPARG P37231 2/20 0.48
HTT P42858 2/20 0.47
NR3C1 P04150 1/20 0.47
PKM P14618 3/20 0.47
NPC1 O15118 3/20 0.47

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
SCHEMBL6423093 1.00 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6415702 0.85 MEN1 (0.59) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6415697 0.85 MEN1 (0.59) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6415501 0.83 MEN1 (0.52) KDM4EMEN1KMT2APOLBUSP2
SCHEMBL6415498 0.83 MEN1 (0.52) KDM4EMEN1KMT2APOLBUSP2
SCHEMBL6415831 0.80 MEN1 (0.51) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6415828 0.80 MEN1 (0.51) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6416917 0.79 MEN1 (0.69) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL6416910 0.79 MEN1 (0.69) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL14300749 0.77 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861419-B2 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-03-01 US disclosed
EP-1324993-A2 SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-07-09 EP disclosed
US-20020010169-A1 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US disclosed
WO-2001079187-A2 SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AND THEIR USE AS ACTIVATORS OF CASPASES CYTOVIA, INC. (US) 2001-10-25 WO 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-20020010169-A1 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP14, CASP4 KDM4E 1882/4885ALDH1A1 832/4885MEN1 2225/4885

“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.