SCHEMBL5623733

SCHEMBL5623733

Cc1cc(C#N)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.58
KCNH2 Q12809 3/20 0.49
TP53 P04637 4/20 0.48
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5623362 0.97 SLC2A1 (0.60) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL30601627 0.95 SLC2A1 (0.65) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5623473 0.95 SLC2A1 (0.65) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5627313 0.93 SLC2A1 (0.57) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5623963 0.92 TP53 (0.53) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5624632 0.92 SLC2A1 (0.56) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5623951 0.91 SLC2A1 (0.69) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5623917 0.91 SLC2A1 (0.54) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5627137 0.91 TP53 (0.51) SLC2A1KCNH2TP53THRBMAPT
SCHEMBL5891060 0.91 SLC2A1 (0.56) SLC2A1KCNH2TP53THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US claimed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP claimed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP claimed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO claimed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
US-6995283-B2 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2006-02-07 US disclosed
US-20060009651-A1 Benzophenones as inhibitors of reverse transcriptase CHAN JOSEPH H 2006-01-12 US disclosed
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION 2004-06-24 US disclosed
EP-1363877-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070470-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SMITHKLINE BEECHAM CORPORATION (US) 2002-09-12 WO disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO 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 (2 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-20060009651-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A SLC2A1 3333/4885KCNH2 4082/4885TP53 2233/4885
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A SLC2A1 3333/4885KCNH2 4082/4885TP53 2233/4885

“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.