SCHEMBL9628376

SCHEMBL9628376

O=C1C=C(Oc2ccc(Cl)cc2)C(=O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.77
CES2 O00748 7/20 0.77
GAPDH P04406 4/20 0.75
IDO1 P14902 2/20 0.54
CDC25A P30304 2/20 0.54
CDC25B P30305 2/20 0.54
P4HB P07237 1/20 0.47
NSD2 O96028 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TLR9 Q9NR96 1/20 0.45
ELANE P08246 1/20 0.43
S100A4 P26447 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.42
PLIN1 O60240 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GSR P00390 1/20 0.42

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
SCHEMBL17594909 0.91 GAPDH (0.89) CES1CES2GAPDHIDO1CDC25A
SCHEMBL4468407 0.86 GAPDH (1.00) CES1CES2GAPDHIDO1CDC25A
SCHEMBL9713675 0.85 CES2 (0.60) CES1CES2GAPDHIDO1CDC25A
SCHEMBL28916510 0.83 GAPDH (0.75) CES1CES2GAPDHIDO1CDC25A
SCHEMBL9628251 0.83 CES1 (0.77) CES1CES2GAPDHIDO1CDC25A
SCHEMBL29647693 0.83 CES1 (0.77) CES1CES2GAPDHIDO1CDC25A
SCHEMBL9849815 0.83 CES2 (0.77) CES1CES2GAPDHIDO1CDC25A
SCHEMBL17594484 0.83 GAPDH (0.75) CES1CES2GAPDHIDO1CDC25A
SCHEMBL9713769 0.83 GAPDH (0.69) CES1CES2GAPDHIDO1CDC25A
SCHEMBL19420523 0.80 GAPDH (0.69) CES1CES2GAPDHIDO1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 US disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 US disclosed
US-10093620-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
EP-3191087-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA Pellficure Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
WO-2016040896-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2016-03-17 WO disclosed
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 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 (4 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-10093620-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 CES1 928/4885CES2 2901/4885GAPDH 1168/4885
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 CES1 928/4885CES2 2901/4885GAPDH 1168/4885
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 CES1 928/4885CES2 2901/4885GAPDH 1168/4885
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 CES1 928/4885CES2 2901/4885GAPDH 1168/4885

“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.