SCHEMBL7532258

SCHEMBL7532258

COc1ccc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.78
SMN1; SMN2 Q16637 5/20 0.77
NPSR1 Q6W5P4 4/20 0.77
ALDH1A1 P00352 4/20 0.67
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
PKM P14618 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALPL P05186 2/20 0.64
USP2 O75604 1/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 2/20 0.63
ALOX12 P18054 1/20 0.63
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL7529463 0.85 TP53 (0.80) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL14403263 0.84 SMN1; SMN2 (1.00) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL12368218 0.84 SMN1; SMN2 (0.73) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL10574365 0.83 SMN1; SMN2 (0.57) TP53SMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL7531220 0.83 TP53 (0.71) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL15212144 0.82 ALPL (0.76) TP53ALPL
SCHEMBL18530465 0.82 SMN1; SMN2 (0.79) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL12391678 0.81 SMN1; SMN2 (0.68) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL12368214 0.81 SMN1; SMN2 (0.68) TP53SMN1; SMN2NPSR1ALDH1A1ALPL
SCHEMBL7578214 0.81 USP2 (0.73) TP53SMN1; SMN2NPSR1TSHRALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183393-A1 Inhibitors of Rho C ICONIX PHARMACEUTICALS INC. 2002-12-05 US claimed
WO-2002022565-A1 INHIBITORS OF RHO C ICONIX PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-20020183393-A1 Inhibitors of Rho C ICONIX PHARMACEUTICALS INC. 2002-12-05 US disclosed
WO-2002022565-A1 INHIBITORS OF RHO C ICONIX PHARMACEUTICALS, INC. (US) 2002-03-21 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-20020183393-A1 Inhibitors of Rho C RHOC, ROCK1, RHOA TP53 4399/4885SMN1; SMN2 2961/4885NPSR1 267/4885

“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.