SCHEMBL7214410

SCHEMBL7214410

NC(=O)c1cccc2c1OCCCS2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.54
TRPA1 O75762 2/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK8 P45983 1/20 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
SCHEMBL7215187 0.86 PARP1 (0.37) PARP1KDM4EALDH1A1HPGDTSHR
SCHEMBL7215155 0.74 PARP1 (0.38) PARP1KDM4EMAPK8
SCHEMBL17978285 0.73 PARP1 (0.84) PARP1HSD17B10
Hydrochloric Acid SCHEMBL17978158 0.72 PARP1 (0.81) PARP1HSD17B10
SCHEMBL1502069 0.70 PARP1 (1.00) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL1520075 0.70 PARP1 (0.64) PARP1TRPA1CYP11B1CYP11B2KDM4E
SCHEMBL8079405 0.70 PARP1 (0.46) PARP1TRPA1CYP11B1CYP11B2KDM4E
Oxalic Acid SCHEMBL17978250 0.67 PARP1 (0.90) PARP1
Cadaverine Tartrate SCHEMBL20968877 0.66 PARP1 (0.68) PARP1HSD17B10
SCHEMBL19519485 0.66 ALDH1A1 (0.40) PARP1KDM4EALDH1A1HPGDMAPT

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
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
US-6573295-B2 Treating proliferative diseases, cancer, restenosis, osteoporosis, inflammation, aIlergies, or cardiovascular disease. ARIAD PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6482852-B2 UE TREATING PROLIFERATIVE DISEASE, CANCER, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, ALLERGIES, OR CARDIOVASCULAR DISEASE; INHIBITION OF SH2-MEDIATED SIGNALING ARIAD PHARMACEUTICALS, INC. 2002-11-19 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof SHAKESPEARE WILLIAM C (US) 2002-05-23 US disclosed
EP-1129068-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-05 EP disclosed
WO-2000027802-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2000-05-18 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 (2 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-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof ACP1, SRC, PPM1G PARP1 2454/4885TRPA1 3843/4885CYP11B1 3133/4885
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 PARP1 3059/4885TRPA1 2969/4885CYP11B1 4137/4885

“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.