SCHEMBL25322176

SCHEMBL25322176

Cc1ccc(S(=O)(=O)OCCCC2CCCN2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
CASP7 P55210 2/20 0.43
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.39
FKBP1A P62942 2/20 0.39
PSMD10 O75832 1/20 0.39
CASP1 P29466 1/20 0.39
POLB P06746 1/20 0.38
STAT3 P40763 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL25322168 1.00 CASP3 (0.43) CASP3CASP7FFAR1ALDH1A1GAA
SCHEMBL27031270 0.92 ALDH1A1 (0.44) CASP3CASP7FFAR1ALDH1A1CYP2D6
SCHEMBL9068328 0.89 ALDH1A1 (0.46) CASP3CASP7ALDH1A1GAAPOLB
SCHEMBL2302585 0.87 FFAR1 (0.45) CASP3CASP7FFAR1ALDH1A1GAA
SCHEMBL3129424 0.87 FFAR1 (0.45) CASP3CASP7FFAR1ALDH1A1GAA
SCHEMBL3616703 0.87 FFAR1 (0.45) CASP3CASP7FFAR1ALDH1A1GAA
SCHEMBL16538611 0.86 GPR119 (0.45) CASP3CASP7LMNA
SCHEMBL16538625 0.86 GPR119 (0.45) CASP3CASP7LMNA
SCHEMBL5133068 0.83 ALDH1A1 (0.46) FFAR1ALDH1A1CYP2D6FKBP1APOLB
SCHEMBL2678802 0.83 ALDH1A1 (0.46) FFAR1ALDH1A1CYP2D6FKBP1APOLB

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CASP3 583/4885CASP7 18/4885FFAR1 3050/4885

“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.