SCHEMBL4025627

SCHEMBL4025627

Cc1ccc(S(=O)(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 2/20 0.59
CYP2D6 P10635 2/20 0.56
KCNH2 Q12809 1/20 0.54
GAA P10253 1/20 0.50
CASP6 P55212 1/20 0.50
DHODH Q02127 1/20 0.47
PRMT5 O14744 2/20 0.47
SIRT1 Q96EB6 3/20 0.46
BRD3 Q15059 1/20 0.45
RECQL P46063 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MAPT P10636 6/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL5458951 0.94 RB1 (0.59) RB1CYP2D6KCNH2GAACASP6
SCHEMBL5445854 0.91 RB1 (0.63) RB1GAACASP6PRMT5SIRT1
SCHEMBL4152538 0.89 CYP2D6 (0.67) RB1CYP2D6KCNH2GAACASP6
SCHEMBL13772090 0.88 RB1 (0.59) RB1CYP2D6GAACASP6PRMT5
SCHEMBL5455553 0.85 RB1 (0.59) RB1GAACASP6DHODHPRMT5
SCHEMBL5784964 0.85 DHODH (0.63) RB1CYP2D6KCNH2GAACASP6
SCHEMBL4164646 0.85 CYP2D6 (0.63) RB1CYP2D6KCNH2GAACASP6
SCHEMBL5449898 0.83 RB1 (0.56) RB1GAACASP6PRMT5SIRT1
SCHEMBL16433445 0.81 CYP2D6 (0.79) RB1CYP2D6KCNH2GAACASP6
SCHEMBL14361123 0.81 RB1 (0.56) RB1GAACASP6PRMT5SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP claimed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US claimed
JP-2007500750-A 2007-01-18 JP claimed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP claimed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 WO claimed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
EP-1819671-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SmithKline Beecham Corporation (US) 2007-08-22 EP disclosed
WO-2006118607-A2 HCV INHIBITORS WITH CARBAZOLE STRUCTURE SMITHKLINE BEECHAM CORPORATION (US) 2006-11-09 WO disclosed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP disclosed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 RB1 4460/4885CYP2D6 994/4885KCNH2 4356/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT RB1 1088/4885CYP2D6 660/4885KCNH2 4337/4885

“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.