SCHEMBL19333997

SCHEMBL19333997

O=C(O)CCc1cccc(CCl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
PTPRB P23467 1/20 0.57
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
PTEN P60484 1/20 0.57
PTPMT1 Q8WUK0 1/20 0.57
FFAR1 O14842 8/20 0.57
TBXA2R P21731 1/20 0.51
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL70271 0.90 KEAP1 (0.74) KEAP1PTPRBCDC25ACDC25BPTEN
Hydrochloric Acid SCHEMBL10982620 0.88 KEAP1 (0.71) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL8435278 0.84 FFAR1 (0.80) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL4407150 0.82 KEAP1 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL9051375 0.82 FFAR1 (0.64) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL30638471 0.82 KEAP1 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL11981977 0.81 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL3242805 0.81 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL31273986 0.81 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL8614478 0.81 KEAP1 (0.67) KEAP1PTPRBCDC25ACDC25BPTEN

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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KEAP1 715/4885PTPRB 629/4885CDC25A 1492/4885

“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.