SCHEMBL4602432

SCHEMBL4602432

Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)Cc1ccc(Oc2cc(Cl)ccc2Br)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
NPSR1 Q6W5P4 1/20 0.39
P2RX4 Q99571 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC2A1 P11166 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
SCHEMBL2639110 0.94 CA12 (0.42) CA12CA1CA2CA9P2RX4
SCHEMBL4602237 0.79 HPGD (0.48) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2638515 0.77 CA1 (0.58) CA12CA1CA2CA9
SCHEMBL2639837 0.76 SLC2A1 (0.40) CA12CA1CA2CA9P2RX4
SCHEMBL4603317 0.75 CA1 (0.61) CA12CA1CA2CA9P2RX4
SCHEMBL4602832 0.74 MEN1 (0.56) CA12CA1CA2CA9P2RX4
SCHEMBL4604508 0.72 ALDH1A1 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL5623913 0.70 SLC2A1 (0.56) NPSR1L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL2638641 0.70 MEN1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL2639161 0.70 CA2 (0.59) CA12CA1CA2CA9P2RX4

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-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
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 CA12 4866/4885CA1 4746/4885CA2 4750/4885

“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.