SCHEMBL4878730

SCHEMBL4878730

NC(CCl)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HIF1A Q16665 2/20 0.50
CES1 P23141 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
GSK3B P49841 2/20 0.45
TRPA1 O75762 1/20 0.45
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 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
SCHEMBL1507309 0.82 HIF1A (0.52) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL1507308 0.82 HIF1A (0.52) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL10616915 0.82 HIF1A (0.52) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL27863809 0.81 HIF1A (0.50) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL2850327 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL27846723 0.81 HIF1A (0.50) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL27846724 0.81 HIF1A (0.50) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL2161616 0.81 HIF1A (0.50) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL3132247 0.80 CES1 (0.48) SMN1; SMN2HIF1ACES1ALDH1A1MAPK1
SCHEMBL2225057 0.79 SMN1; SMN2 (0.75) SMN1; SMN2HIF1ACES1MAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO SMN1; SMN2 2981/4885HIF1A 1228/4885CES1 430/4885

“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.