Sugi Predict

Sugi Predict / Compounds / SCHEMBL1924595

SCHEMBL1924595

SCHEMBL1924595

Cc1cccc(C(=O)CC(=O)C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 3/20 0.54
▸ PLOD3 O60568 2/20 0.54
▸ PLOD1 Q02809 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HTT P42858 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ KCNK3 O14649 2/20 0.47
▸ KCNK9 Q9NPC2 2/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL2265395 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL2265767 0.87 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL2265334 0.84 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL29456641 0.84 MEN1 (0.64) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL28728190 0.84 MEN1 (0.64) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL2261881 0.83 CTNNB1 (0.48) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL30415795 0.81 PLOD2 (0.64) PLOD2PLOD3PLOD1SMN1; SMN2HPGD
SCHEMBL1924322 0.81 PLOD2 (0.64) PLOD2PLOD3PLOD1SMN1; SMN2HPGD
SCHEMBL4255460 0.81 PLOD2 (0.55) PLOD2PLOD3PLOD1SMN1; SMN2HPGD
SCHEMBL12365899 0.81 PLOD2 (0.51) PLOD2PLOD3PLOD1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036510-A1 1, 2-DIARYL PYRAZOLES USEFUL AS ANALGETIC AND ANTIINFLAMMATORY AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-02-05 — — US claimed
CN-111484453-B Synthesis method of celecoxib 福建海西新药创制股份有限公司 2023-05-05 — — CN disclosed
CN-111484453-A Synthesis method of celecoxib 福建海西新药创制有限公司 2020-08-04 — — CN disclosed
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-09-07 — — US disclosed
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-09-07 — — US disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 — — US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — WO disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 — — US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 — — US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 — — EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 — — 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 (5 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 PLOD2 3268/4885PLOD3 3106/4885PLOD1 3044/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 PLOD2 2908/4885PLOD3 2532/4885PLOD1 3563/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885
US-20090036510-A1 1, 2-DIARYL PYRAZOLES USEFUL AS ANALGETIC AND ANTIINFLAMMATORY AGENTS PTGER3, CBR3, PTGES3 PLOD2 2746/4885PLOD3 1931/4885PLOD1 3188/4885
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD IPMK, TALDO1, BCKDK PLOD2 2285/4885PLOD3 3730/4885PLOD1 2659/4885

“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.