SCHEMBL5204276

SCHEMBL5204276

O=S(=O)(c1ccc2cc(Cl)ccc2c1)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.73
MAPT P10636 1/20 0.71
USP2 O75604 1/20 0.61
F10 P00742 6/20 0.55
KDM1A O60341 1/20 0.52
F2 P00734 1/20 0.52
MCOLN3 Q8TDD5 2/20 0.51
TSHR P16473 1/20 0.51
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
Hydrochloric Acid SCHEMBL2267301 0.98 PKM (0.71) PKMMAPTUSP2F10KDM1A
Hydrochloric Acid SCHEMBL6195901 0.93 PKM (0.64) PKMMAPTUSP2F10MCOLN3
Trifluoroacetic Acid SCHEMBL6199635 0.89 PKM (0.59) PKMMAPTUSP2F10KDM1A
SCHEMBL333988 0.84 PKM (1.00) PKMMAPTMCOLN3TSHRMEN1
SCHEMBL654548 0.84 MAPT (1.00) PKMMAPTUSP2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL932094 0.83 PKM (0.97) PKMMAPTMCOLN3TSHRMEN1
Hydrochloric Acid SCHEMBL3253197 0.82 MAPT (0.96) PKMMAPTUSP2ALDH1A1MEN1
SCHEMBL2266915 0.82 PKM (0.73) PKMMAPTF10MCOLN3TSHR
SCHEMBL4942386 0.81 F10 (0.70) PKMUSP2F10F2TSHR
SCHEMBL654409 0.81 MEN1 (0.73) PKMMAPTUSP2ALDH1A1MEN1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
EP-1082303-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 US disclosed
CN-1272107-A Benzamidine derivatives as factor Xa inhibitors MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-2000039092-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
WO-1999057099-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed
WO-1999057112-A1 REDUCED PARTICLE SIZE FORM OF 1-(6-CHLORONAPHTH-2- YLSULPHONYL) -4-[4-(4PYRIDYL) BENZOYL] PIPERAZINE ASTRAZENECA AB (SE) 1999-11-11 WO disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 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 (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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT PKM 3108/4885MAPT 4263/4885USP2 4652/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 PKM 1610/4885MAPT 4238/4885USP2 4420/4885

“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.