Chloroacetic Acid

Chloroacetic Acid

SCHEMBL1783141

CC1CCCCC1.O=C(O)CCl

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 8/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
EPHX2 P34913 1/20 0.35
ADRA2A P08913 1/20 0.35
FFAR3 O14843 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ACHE P22303 1/20 0.34

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
Propionic Acid SCHEMBL8614869 0.85 FFAR3 (0.53) ALDH1A1LMNACYP1A2EPHX1KDM4E
Methylcyclopentane SCHEMBL27727030 0.85 FFAR3 (0.53) ALDH1A1LMNACYP1A2EPHX1KDM4E
Propionic Acid SCHEMBL4088363 0.85 FFAR3 (0.53) ALDH1A1LMNACYP1A2EPHX1KDM4E
Glycolic Acid SCHEMBL9935780 0.83 CYP1A2 (0.44) TSHRALDH1A1LMNACYP1A2EPHX1
SCHEMBL8964234 0.82 EPHX1 (0.46) TSHRALDH1A1LMNACYP1A2EPHX1
SCHEMBL5728127 0.82 EPHX1 (0.46) TSHRALDH1A1LMNACYP1A2EPHX1
Bicarbonate SCHEMBL17847302 0.82 EPHX1 (0.50) TSHRALDH1A1CYP1A2EPHX1SMN1; SMN2
Bicarbonate SCHEMBL8913592 0.82 EPHX1 (0.50) TSHRALDH1A1CYP1A2EPHX1SMN1; SMN2
Bicarbonate SCHEMBL4695324 0.82 EPHX1 (0.50) TSHRALDH1A1CYP1A2EPHX1SMN1; SMN2
Acetic Acid SCHEMBL4093239 0.79 EPHX1 (0.48) TSHRALDH1A1CYP1A2EPHX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118229-A1 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2011-05-19 US disclosed
EP-0808315-B1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES WYETH LEDERLE JAPAN LTD (JP) 2001-04-04 EP disclosed
US-5886172-A ORAL PRODRUG READILY ABSORPED IN THE DIGESTIVE TRACT AND HYDROLYZED; BIOAVAILABIITY; STRONG ANTIBACTERIAL ACTIVITY ESPECIALLY AGAINST STAPHYLOCOCCUS; STREPTOCOCCUS, KLEBSIELLA AND PROTEUS LEDERLE (JAPAN) LTD. (JP) 1999-03-23 US disclosed
EP-0808315-A1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES LEDERLE (JAPAN), Ltd. (JP) 1997-11-26 EP disclosed
WO-1997021712-A1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES LEDERLE (JAPAN), LTD. (JP) 1997-06-19 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 (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-20110118229-A1 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP2C19, CYP2C9, SCN9A TSHR 4168/4885ALDH1A1 1407/4885LMNA 1267/4885

“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.