SCHEMBL1137474

SCHEMBL1137474

Fc1cc(CBr)c2c(c1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHB4 P54760 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 1/20 0.32
MTNR1A P48039 1/20 0.30
PARP1 P09874 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1054578 0.81 ERBB2 (0.36) KDM4ECYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1058006 0.81 KDM4E (0.38) KDM4ECYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4476855 0.79 MAPT (0.40) MAPK1MTNR1AMEN1HPGDKMT2A
SCHEMBL1057327 0.77 KDM4E (0.36) KDM4ECYP1A2CYP3A4CYP2C9TSHR
SCHEMBL15039735 0.75 MEN1 (0.41) CTNNB1WNT3APARP1MEN1HPGD
SCHEMBL29868877 0.71 PARP1 (0.36) KDM4ECTNNB1WNT3APARP1LARS1
SCHEMBL419983 0.71 PARP1 (0.36) KDM4ECTNNB1WNT3APARP1LARS1
SCHEMBL13534196 0.71 HPGD (0.33) KDM4ETSHRHTR1ASLC6A4CTNNB1
SCHEMBL15046893 0.71 HDAC4 (0.39) ERBB2EPHA2EPHB4HTR1APARP1
SCHEMBL13533160 0.70 P4HB (0.31) PARP1

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
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 KDM4E 3447/4885CYP1A2 797/4885CYP3A4 1836/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 KDM4E 3447/4885CYP1A2 797/4885CYP3A4 1836/4885

“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.