SCHEMBL4175632

SCHEMBL4175632

CC(CCl)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 4/20 0.48
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL22341259 1.00 HIF1A (0.48) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL22341285 1.00 HIF1A (0.48) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL8167581 0.88 HIF1A (0.48) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL4437262 0.86 HIF1A (0.47) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL10445351 0.84 HIF1A (0.46) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL17710499 0.82 L3MBTL1 (0.50) HIF1AMAPTALDH1A1MAPK1KIF11
SCHEMBL29003672 0.81 KCNN4 (0.56) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL1492728 0.81 CYP2C19 (0.50) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL6758034 0.81 CYP2C19 (0.50) HIF1ACYP2C19CYP1A2MAPTKMT2A
SCHEMBL23453194 0.79 TAAR1 (0.54) HIF1ACYP2C19CYP1A2MAPTKMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
CN-103193620-B A kind of loxoprofen's key intermediate 2-for preparing is to the method for chloromethyl phenyl propionic acid ANHUI HERYI CHEMICALS CO., LTD. (CN) 2015-11-11 CN claimed
CN-103193620-A Method for preparing 2-(4-Chloromethylphenyl) propionic acid as loxoprofen key intermediate TIANCHANG HERYI PHARMA CO LTD 2013-07-10 CN claimed
CN-103193620-B A kind of loxoprofen's key intermediate 2-for preparing is to the method for chloromethyl phenyl propionic acid ANHUI HERYI CHEMICALS CO., LTD. (CN) 2015-11-11 CN disclosed
CN-103193620-B A kind of loxoprofen's key intermediate 2-for preparing is to the method for chloromethyl phenyl propionic acid ANHUI HERYI CHEMICALS CO., LTD. (CN) 2015-11-11 CN disclosed
CN-103193620-B A kind of loxoprofen's key intermediate 2-for preparing is to the method for chloromethyl phenyl propionic acid ANHUI HERYI CHEMICALS CO., LTD. (CN) 2015-11-11 CN disclosed
EP-2822938-A1 RODENTICIDAL NORBORMIDE ANALOGUES Landcare Research New Zealand Limited (NZ) 2015-01-14 EP disclosed
WO-2013133726-A1 RODENTICIDAL NORBORMIDE ANALOGUES LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2013-09-12 WO disclosed
CN-103193620-A Method for preparing 2-(4-Chloromethylphenyl) propionic acid as loxoprofen key intermediate TIANCHANG HERYI PHARMA CO LTD 2013-07-10 CN disclosed
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 US disclosed
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN disclosed
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 CN disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
CN-1433415-A N-[5-[[[5-alkyl-2-oxazlyl]methyl]thio]-2-thiazolyl] carboxamide inhibitors of cyclin dependent kinases BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN 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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 HIF1A 657/4885CYP2C19 188/4885CYP1A2 343/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 HIF1A 739/4885CYP2C19 193/4885CYP1A2 266/4885

“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.