SCHEMBL18064271

SCHEMBL18064271

O=S1(=O)NC2(CC2)c2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
TDP2 O95551 1/20 0.33
BACE1 P56817 3/20 0.33
KDM1A O60341 1/20 0.33
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
CTSD P07339 2/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL18064370 0.79 CHEK1 (0.41) CA1CA2CA12CA4CA7
SCHEMBL31568209 0.77 CA1 (0.41) CA1CA2CA12CA4CA7
SCHEMBL19411583 0.69 PIK3CD (0.44) CA1CA2CA12CA4CA7
SCHEMBL24697302 0.67 CA2 (0.44) CA1CA2CA12CA4CA7
SCHEMBL31568291 0.67 CA2 (0.44) CA1CA2CA12CA4CA7
SCHEMBL30017044 0.66 RAF1 (0.40) CA1CA2CA12CA4CA7
SCHEMBL31524271 0.63 BACE2 (0.40) CA1CA2CA12CA4CA7
SCHEMBL20423243 0.63 TDP2 (0.49) CA1CA2CA4CA7CA9
SCHEMBL21032172 0.63 CA1 (0.37) CA1CA2CA12CA4CA7
SCHEMBL31097877 0.63 TDP2 (0.49) CA1CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873690-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC (US) 2018-01-23 US disclosed
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. 2016-09-22 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 (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-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 CA1 3464/4885CA2 3049/4885CA12 4354/4885

“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.