SCHEMBL5736659

SCHEMBL5736659

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.57
TGM2 P21980 9/20 0.54
F13A1 P00488 6/20 0.54
TGM1 P22735 3/20 0.54
PKM P14618 2/20 0.50

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
SCHEMBL5633204 0.93 TGM2 (0.53) F10TGM2F13A1TGM1
SCHEMBL5632520 0.89 TGM2 (0.52) F10TGM2F13A1TGM1
SCHEMBL6790392 0.88 PKM (0.65) TGM2F13A1TGM1PKM
SCHEMBL710366 0.88 TGM2 (0.64) TGM2F13A1TGM1PKM
SCHEMBL5202414 0.86 STS (0.57) F10TGM2F13A1TGM1
SCHEMBL2378015 0.86 TGM2 (0.54) TGM2F13A1TGM1
SCHEMBL6977155 0.84 TGM2 (0.62) TGM2F13A1TGM1PKM
SCHEMBL14490210 0.83 TGM2 (0.59) TGM2F13A1TGM1PKM
SCHEMBL567503 0.83 ATM (0.54) F10TGM2F13A1TGM1PKM
SCHEMBL2376710 0.82 ABL1 (0.59) TGM2F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-20040082786-A1 Piperazine based inhibitors of factor xa MILENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
EP-1322610-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026720-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 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-20040082786-A1 Piperazine based inhibitors of factor xa TFPI, F11, F12 F10 11/4885TGM2 2873/4885F13A1 16/4885

“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.