SCHEMBL1626023

SCHEMBL1626023

O=[N+]([O-])c1cc(CCl)c(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.46
VCAM1 P19320 7/20 0.42
PGK1 P00558 1/20 0.41
GRIA2 P42262 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL29790171 1.00 TSHR (0.50) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL1425442 0.84 ALDH1A1 (0.50) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL3341504 0.84 TSHR (0.50) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL10713293 0.83 ALDH1A1 (0.46) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL6491643 0.82 ALDH1A1 (0.49) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL10553475 0.82 TSHR (0.46) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL8461057 0.81 TSHR (0.59) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL359519 0.80 TSHR (0.60) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL1626066 0.78 TSHR (0.58) TSHRALDH1A1MAPK1CYP3A4VCAM1
SCHEMBL30953145 0.78 TSHR (0.58) TSHRALDH1A1MAPK1CYP3A4VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457153-B Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 台州臻挚生物科技有限公司 2022-09-09 CN claimed
CN-112457153-A Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 杭州臻挚生物科技有限公司 2021-03-09 CN claimed
CN-112457153-B Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 台州臻挚生物科技有限公司 2022-09-09 CN disclosed
CN-112457153-A Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 杭州臻挚生物科技有限公司 2021-03-09 CN disclosed
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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 (6 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TSHR 4596/4885ALDH1A1 588/4885MAPK1 1055/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 TSHR 518/4885ALDH1A1 1858/4885MAPK1 3253/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 TSHR 518/4885ALDH1A1 1858/4885MAPK1 3253/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TSHR 4590/4885ALDH1A1 632/4885MAPK1 1069/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES TSHR 3355/4885ALDH1A1 798/4885MAPK1 2319/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 TSHR 351/4885ALDH1A1 1286/4885MAPK1 1556/4885

“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.