SCHEMBL6690434

SCHEMBL6690434

CCOC(=O)C(C)c1ccc(CI)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
PTGS1 P23219 5/20 0.42
CXCR1 P25024 3/20 0.42
CXCR2 P25025 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL8429803 0.86 AKR1C3 (0.46) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL1125008 0.83 CYP4F2 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL7625059 0.83 FAAH (0.46) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL13884372 0.83 EPHX1 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL31375120 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3281060 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2944919 0.83 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL12315605 0.83 PTGS2 (0.48) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8626625 0.82 TSHR (0.40) PTGS2LMNATSHR
SCHEMBL3279844 0.82 KMT2A (0.47) PTGS2LMNAALOX5TSHR

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
CN-108440274-A A kind of synthetic method of high-purity nonsteroidal anti-inflammatory drug loxoprofen sodium 大桐制药(中国)有限责任公司 2018-08-24 CN disclosed
CN-104710309-A Synthetic methods of loxoprofen sodium and intermediate thereof ZHEJIANG APELOA PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2015-06-17 CN disclosed
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 US disclosed
US-6706892-B1 ADMINSTERING MALEIMIDE DERIVATIVE TO COVALENTLY BOND PROTEIN; WOUND HEALING, ANTIBIOTIC, ANTIINFLAMMATORY, ANTICARCINOGENIC, HYPOTENSIVE, AND ANALGESIC AGENTS CONJUCHEM, INC. (CA) 2004-03-16 US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 EP disclosed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 WO disclosed
US-4161538-A 4-(2-OXO- OR HYDROXIMINO-CYCLOALKAN-1-YLMETHYL)-PHENYLACETIC ACID, ANTIINFLAMMATORY AGENTS SANKYO COMPANY LIMITED (JP) 1979-07-17 US 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-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups OGFR, HDGF, SERPINA6 PTGS2 345/4885PTGS1 28/4885CXCR1 511/4885

“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.