SCHEMBL16645764

SCHEMBL16645764

NS(=O)(=O)c1cc(C(=O)O)cc(NCc2cc(Cl)cc(Cl)c2O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA12 O43570 4/20 0.53
CA9 Q16790 4/20 0.53
CISD1 Q9NZ45 5/20 0.43
ACLY P53396 4/20 0.42
KMT2A Q03164 5/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA3 P07451 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
MEN1 O00255 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15367494 0.88 CISD1 (0.42) CA1CA2CA12CA9CISD1
SCHEMBL16641988 0.84 CA1 (0.55) CA1CA2CA12CA9CISD1
SCHEMBL574173 0.76 CA2 (0.47) CA1CA2CISD1GAALMNA
SCHEMBL29246890 0.76 CA12 (0.50) CA1CA2CA12CA9ACLY
SCHEMBL30107662 0.76 CA12 (0.50) CA1CA2CA12CA9ACLY
SCHEMBL7824144 0.75 KDM4E (0.48) CA1CA2CA12CA9CISD1
SCHEMBL9042101 0.72 CA1 (0.56) CA1CA2CA12CA9CISD1
SCHEMBL7824071 0.72 SMN1; SMN2 (0.52) CA1CA2CA12CISD1ACLY
SCHEMBL573193 0.72 CA2 (0.64) CA1CA2CA12CA9CISD1
SCHEMBL573694 0.72 PKM (0.44) CA1CA2CA12CA9CISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 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-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES GRIN2A, GRIN1, GRIN2C CA1 455/4885CA2 2163/4885CA12 1006/4885

“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.