SCHEMBL5688564

SCHEMBL5688564

CC(=O)Nc1cccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 17/20 0.66
CYP3A4 P08684 7/20 0.66
ADAMTS4 O75173 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
SYK P43405 2/20 0.43

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
SCHEMBL7563594 1.00 CYP17A1 (0.66) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2
SCHEMBL29478298 1.00 CYP17A1 (0.66) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2
SCHEMBL5688287 0.93 CYP17A1 (0.56) CYP17A1CYP3A4ADAMTS4SYK
SCHEMBL5688374 0.90 CYP17A1 (0.63) CYP17A1CYP3A4ADAMTS4
SCHEMBL22284856 0.90 CYP17A1 (0.67) CYP17A1CYP3A4
SCHEMBL7563598 0.90 CYP17A1 (0.53) CYP17A1CYP3A4
SCHEMBL5688634 0.89 CYP17A1 (0.52) CYP17A1CYP3A4
SCHEMBL5690716 0.88 CYP17A1 (0.51) CYP17A1CYP3A4SYK
SCHEMBL5690790 0.87 CYP17A1 (0.64) CYP17A1CYP3A4CYP11B1CYP11B2SYK
SCHEMBL5688811 0.86 CYP17A1 (0.55) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US claimed
EP-3365819-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 Mangosuthu University Of Technology (ZA) 2018-08-29 EP claimed
WO-2017070719-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2017-04-27 WO claimed
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP claimed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US claimed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP claimed
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 US disclosed
CN-108701171-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-06-10 CN disclosed
CN-108779085-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-03-22 CN disclosed
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP 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 (3 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-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 5/4885CYP3A4 48/4885ADAMTS4 1743/4885
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 10/4885CYP3A4 18/4885ADAMTS4 3394/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP17A1 10/4885CYP3A4 18/4885ADAMTS4 3394/4885

“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.