SCHEMBL4603717

SCHEMBL4603717

Nc1cc(S(N)(=O)=O)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.69
CA9 Q16790 10/20 0.69
CA1 P00915 9/20 0.69
CA12 O43570 9/20 0.69
CA4 P22748 6/20 0.69
CA14 Q9ULX7 6/20 0.69
CA6 P23280 5/20 0.69
CA5A P35218 5/20 0.69
CA7 P43166 5/20 0.69
CA5B Q9Y2D0 5/20 0.69
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL8911366 0.83 ALDH1A1 (0.62) CA2CA9CA1CA12CA4
SCHEMBL1006804 0.83 G6PD (0.53) CA2CA9CA1CA12CA4
SCHEMBL30351262 0.82 CA2 (1.00) CA2CA9CA1CA12CA4
SCHEMBL878968 0.82 CA2 (1.00) CA2CA9CA1CA12CA4
SCHEMBL11327983 0.82 CA2 (0.49) CA2CA9CA1CA12CA4
SCHEMBL5489374 0.81 CA2 (0.68) CA2CA9CA1CA12CA4
SCHEMBL29828429 0.81 PKM (0.87) CA2CA9CA1CA12CA4
SCHEMBL1911572 0.81 PKM (0.87) CA2CA9CA1CA12CA4
SCHEMBL11333848 0.81 CA2 (0.50) CA2CA9CA1CA12CA4
SCHEMBL11327980 0.80 CA2 (0.50) CA2CA9CA1CA12CA4

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-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 CA2 4750/4885CA9 4603/4885CA1 4746/4885

“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.