SCHEMBL5730451

SCHEMBL5730451

COCCc1c(S(C)(=O)=O)c2cc(Cl)ccc2n1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
AKR1B1 P15121 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
PTGER4 P35408 2/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL5729470 0.86 CYP3A4 (0.43) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5730185 0.81 RAB9A (0.45) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5729295 0.76 ADRA1A (0.42) MAPK8MAPK9MAPK10
SCHEMBL11713232 0.64 DPP4 (0.45) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27597595 0.64 CYP2C9 (0.46) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11718704 0.64 DPP4 (0.48) RAB9ACYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL5730950 0.63 ADRA1A (0.44) PTGS1PTGS2
SCHEMBL5730355 0.63 ADRA1A (0.44) PTGS1PTGS2
SCHEMBL30569557 0.62 HTT (0.42) RAB9AMAPT
SCHEMBL11713809 0.61 RAB9A (0.51) RAB9APTGDR2AKR1B1PTGS1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 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 (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-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B RAB9A 2070/4885MAPK8 4282/4885MAPK9 4400/4885

“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.