SCHEMBL4023478

SCHEMBL4023478

O=S(=O)(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
RB1 P06400 5/20 0.57
KCNH2 Q12809 1/20 0.55
DHODH Q02127 2/20 0.48
BRD3 Q15059 7/20 0.46
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
CDC42 P60953 1/20 0.42
MAPK1 P28482 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
SCHEMBL4025145 0.89 CYP2D6 (0.58) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL5447185 0.88 RB1 (0.57) CYP2D6RB1KCNH2BRD3MAPT
SCHEMBL4152538 0.85 CYP2D6 (0.67) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4142995 0.81 CYP2D6 (0.73) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4164646 0.81 CYP2D6 (0.63) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4025627 0.80 RB1 (0.59) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4024942 0.78 CYP2D6 (0.60) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4154709 0.77 CYP2D6 (0.67) CYP2D6RB1KCNH2DHODHBRD3
SCHEMBL4026175 0.77 CYP2D6 (0.58) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL5458951 0.76 RB1 (0.59) CYP2D6RB1KCNH2DHODHBRD3

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 16 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
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

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 CYP2D6 994/4885RB1 4460/4885KCNH2 4356/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885RB1 1088/4885KCNH2 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.