SCHEMBL4603571

SCHEMBL4603571

COc1cc(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccc1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
P2RX4 Q99571 6/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2C P28335 1/20 0.43
P2RX3 P56373 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL4602268 0.91 CA1 (0.53) EPHX2P2RX4KMT2ACYP2C8CYP2D6
SCHEMBL4603296 0.89 P2RX4 (0.47) P2RX4KMT2AALDH1A1MEN1CYP2C8
SCHEMBL2639938 0.88 CA1 (0.53) EPHX2P2RX4KMT2ACYP2C8CYP2D6
SCHEMBL2639683 0.84 BCHE (0.52) EPHX2KMT2AMAPTALDH1A1BCHE
SCHEMBL4604900 0.82 CA1 (0.60) MAPTCA12CA1CA2CA9
SCHEMBL4604927 0.82 CA12 (0.50) GAACA12CA1CA2CA9
SCHEMBL4604199 0.82 CA2 (0.58) CA12CA1CA2CA9
SCHEMBL2638407 0.81 CA1 (0.53) P2RX4KMT2AMEN1CYP2C8CYP2D6
SCHEMBL4604671 0.81 CA1 (0.53) P2RX4KMT2AMEN1CYP2C8CYP2D6
SCHEMBL2638397 0.81 CA1 (0.51) P2RX4KMT2AMEN1CYP2C8CYP2D6

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 EPHX2 2044/4885P2RX4 1780/4885KMT2A 989/4885

“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.