SCHEMBL12445151

SCHEMBL12445151

O=S1(=O)CCCN1c1ccc(F)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
OPRK1 P41145 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 5/20 0.44
POLB P06746 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CDK1 P06493 3/20 0.39
CDK4 P11802 3/20 0.39
CDK2 P24941 3/20 0.39
UTRN P46939 1/20 0.39
P2RX7 Q99572 2/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL4599264 0.76 CA1 (0.54) CA1CA2CA6OPRK1CA7
SCHEMBL2359685 0.76 MAPT (0.42) CA1CA2CA6OPRK1CA7
SCHEMBL29131028 0.75 CHEK1 (0.48) CA1CA2CA6OPRK1CA7
SCHEMBL14687626 0.75 POLB (0.53) CA1CA2CA6OPRK1CA7
SCHEMBL1787817 0.74 POLB (0.56) CA1CA2CA6OPRK1CA7
SCHEMBL8312434 0.74 POLB (0.49) CA1CA2CA6OPRK1CA7
SCHEMBL3695224 0.74 CA1 (0.52) CA1CA2CA6OPRK1CA7
SCHEMBL12445159 0.73 ALDH1A1 (0.41) TP53POLBSLC6A2SLC6A4SLC6A3
SCHEMBL13492110 0.72 CA1 (0.47) CA1CA2CA6OPRK1CA7
SCHEMBL3987697 0.72 ALOX5AP (0.41) CA1CA2CA6OPRK1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A CA1 4456/4885CA2 4146/4885CA6 4256/4885

“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.