SCHEMBL6812404

SCHEMBL6812404

COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N(S)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
GPR27 Q9NS67 3/20 0.51
AVPR2 P30518 2/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
CNR1 P21554 2/20 0.48
GPR55 Q9Y2T6 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6812369 0.81 MEN1 (0.54) ALDH1A1TSHRKMT2AMEN1NPSR1
SCHEMBL6813192 0.81 MEN1 (0.52) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL6812711 0.78 PNLIP (0.49) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6812397 0.76 ALDH1A1 (0.57) CA12CA9ALDH1A1CYP1A2CYP3A4
SCHEMBL8533988 0.75 NR3C2 (0.40) ALDH1A1TSHRKMT2AMEN1NPSR1
SCHEMBL6813784 0.74 RAB9A (0.44) ALDH1A1CYP2C19KMT2AMEN1NPSR1
SCHEMBL6813289 0.73 HDAC8 (0.56) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL6809708 0.73 HDAC8 (0.53) ALDH1A1CYP1A2CYP3A4PKMCYP2C19
SCHEMBL6813531 0.73 P2RY1 (0.59) CYP1A2CYP3A4CYP2C19KMT2AMEN1
SCHEMBL6812345 0.73 MEN1 (0.56) ALDH1A1CYP3A4TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP claimed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS CA12 4639/4885CA9 2420/4885ALDH1A1 369/4885

“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.