Chloroacetic Acid

Chloroacetic Acid

SCHEMBL5273449

CC(C)NC(C)C.O=C(O)CCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.44
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33

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
Chloroacetic Acid SCHEMBL5874432 0.81 TSHR (0.53) TSHRTDP1LDHASRRCYP2D6
Glycolic Acid SCHEMBL10910933 0.80 TDP1 (0.47) TDP1LDHASRRCYP2D6CYP2C19
Succinic Acid SCHEMBL27737229 0.80 EGLN1 (0.53) TSHRTDP1LMNAGABRPGABRD
Propionic Acid SCHEMBL3410616 0.80 FFAR3 (0.59) TDP1LDHASRRCYP2D6CYP2C19
Chloroacetic Acid SCHEMBL27370382 0.79
Chloroacetic Acid SCHEMBL11685748 0.79 TSHR (0.67) TSHRALDH1A1LMNAGABRPGABRD
Chloroacetic Acid SCHEMBL3654223 0.79
Bicarbonate SCHEMBL8871100 0.78 TDP1 (0.61) TSHRTDP1CYP2D6CYP2C19ALDH1A1
Chloroacetic Acid SCHEMBL11154843 0.77 TSHR (0.62) TSHRALDH1A1LMNAGABRPGABRD
Adipic Acid SCHEMBL10926965 0.76 LMNA (0.58) TSHRTDP1ALDH1A1LMNA

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-108914354-A A kind of preparation method and applications of the textile fabric of stain resistant 吕雄伟 2018-11-30 CN claimed
CN-107213120-A A kind of Diisopropylamine Dichloroacetate freeze-dried powder and preparation method thereof 安徽赛诺制药有限公司 2017-09-29 CN claimed
EP-1853298-A2 THERAPEUTIC COMBINATION OF A VEGF ANTAGONIST (VEGF TRAP) AND AN ANTI-HYPERTENSIVE AGENT REGENERON PHARMACEUTICALS, INC. (US) 2007-11-14 EP claimed
WO-2006086544-A2 THERAPEUTIC COMBINATION OF A VEGF ANTAGONIST (VEGF TRAP) AND AN ANTI-HYPERTENSIVE AGENT REGENERON PHARMACEUTICALS, INC. (US) 2006-08-17 WO claimed
US-20220280425-A1 FLAVONOIDS AND LINOLEIC ACID USES IN HYPERTENSION KING ABDULAZIZ UNIVERSITY (SA) 2022-09-08 US disclosed
CN-108914354-A A kind of preparation method and applications of the textile fabric of stain resistant 吕雄伟 2018-11-30 CN disclosed
CN-107177899-A It is a kind of for textile material of special environment and preparation method thereof 苏州市丹纺纺织研发有限公司 2017-09-19 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 (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-20220280425-A1 FLAVONOIDS AND LINOLEIC ACID USES IN HYPERTENSION ALOX15, ALOX12, ALOX5 TSHR 1747/4885TDP1 4357/4885LDHA 543/4885

“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.