SCHEMBL4032443

SCHEMBL4032443

CSc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.64
PLOD3 O60568 2/20 0.57
PLOD1 Q02809 2/20 0.57
HAO1 Q9UJM8 1/20 0.55
PLK1 P53350 1/20 0.49
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5312596 0.85 HAO1 (0.46) PLOD2PLOD3PLOD1HAO1PLK1
SCHEMBL1593867 0.80 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1SMN1; SMN2
SCHEMBL22804475 0.80 PLOD2 (0.60) PLOD2PLOD3PLOD1HAO1PTPN1
SCHEMBL7202272 0.79 HAO1 (0.50) PLOD2HAO1PLK1EPHX2NR1H4
SCHEMBL10613378 0.79 PLOD2 (0.68) PLOD2PLOD3PLOD1PTPN1SMN1; SMN2
SCHEMBL711849 0.78 PLOD2 (1.00) PLOD2PLOD3PLOD1PTPN1SMN1; SMN2
SCHEMBL4842868 0.78 HAO1 (0.67) HAO1PLK1EPHX2NR1H4TAS1R3
SCHEMBL4707187 0.78 HAO1 (0.62) HAO1PLK1EPHX2NR1H4TAS1R3
SCHEMBL1095373 0.78 PLOD2 (0.72) PLOD2PLOD3PLOD1PTPN1NPC1
SCHEMBL9199040 0.77 HAO1 (0.57) HAO1PLK1EPHX2NR1H4TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002289-A1 PYRAZOLOHETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南九典制药股份有限公司 2025-01-02 WO disclosed
CN-111344362-B Ink composition and printed matter 大日本印刷株式会社 2022-07-05 CN disclosed
CN-111344361-A Ink composition, printed matter, and method for determining authenticity 大日本印刷株式会社 2020-06-26 CN disclosed
CN-111344362-A Ink composition and printed matter 大日本印刷株式会社 2020-06-26 CN disclosed
EP-1492773-B1 4-(HETEROCYCLYL)-BENZENESULFOXIMINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION CADILA HEALTHCARE LTD (IN) 2009-02-04 EP disclosed
EP-1493735-B1 PYRIMIDINE DERIVATIVES USEFUL AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2008-10-29 EP disclosed
US-7348342-B2 Heterocyclic compounds process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-03-25 US disclosed
US-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders GLAXO GROUP LIMITED (GB) 2007-11-22 US disclosed
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20060194824-A1 Compositions containing pyrimidine derivatives as inhibitors of cox-2 GLAXO GROUP LIMITED (GB) 2006-08-31 US disclosed
WO-2001038311-A2 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2001-05-31 WO disclosed
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP 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 (3 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-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders TPH2, PTGS2, PTGES2 PLOD2 639/4885PLOD3 3110/4885PLOD1 1321/4885
US-20060194824-A1 Compositions containing pyrimidine derivatives as inhibitors of cox-2 DPYD, PTGS2, TYMP PLOD2 1761/4885PLOD3 4082/4885PLOD1 3098/4885
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders PTGES2, PTGER2, PTGDR2 PLOD2 2058/4885PLOD3 4553/4885PLOD1 2943/4885

“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.