SCHEMBL4816671

SCHEMBL4816671

CS(=O)(=O)OCc1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
PYCR1 P32322 1/20 0.41
NAAA Q02083 1/20 0.41
BMP1 P13497 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APLNR P35414 2/20 0.38
HPD P32754 2/20 0.38
MTNR1B P49286 1/20 0.38
CHRM5 P08912 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL5316792 0.95 AKR1B1 (0.39) AKR1B1PYCR1NAAABMP1NPC1
SCHEMBL15137118 0.84 BMP1 (0.40) AKR1B1PYCR1BMP1NPC1RAB9A
SCHEMBL1015757 0.81 PYCR1 (0.40) PYCR1MEN1KMT2A
SCHEMBL14709471 0.81 SMN1; SMN2 (0.36) NPC1RAB9AKMT2A
SCHEMBL5957680 0.80 PTGER1 (0.41) HPDPTGER1
SCHEMBL26933279 0.80 CA12 (0.32) APLNR
SCHEMBL5673837 0.80 PYCR1 (0.41) PYCR1MEN1KMT2APTGER1
SCHEMBL15414218 0.79 PYCR1 (0.44) PYCR1MEN1KMT2A
SCHEMBL25330967 0.78 MAPK14 (0.31)
SCHEMBL857212 0.78 SCN5A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 AKR1B1 3091/4885PYCR1 1452/4885NAAA 2934/4885

“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.