SCHEMBL18770541

SCHEMBL18770541

Cc1c(C(N)=O)ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 20/20 0.78
CYP3A4 P08684 11/20 0.68
CYP2C8 P10632 1/20 0.56

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
SCHEMBL4023987 0.80 CYP17A1 (0.52) CYP17A1CYP3A4CYP2C8
SCHEMBL4028656 0.71 CYP17A1 (0.42) CYP17A1CYP3A4CYP2C8
SCHEMBL4030492 0.69 CYP17A1 (0.52) CYP17A1CYP3A4CYP2C8
SCHEMBL4030824 0.68 CYP17A1 (0.68) CYP17A1CYP3A4CYP2C8
SCHEMBL3028424 0.65 LCK (0.49)
SCHEMBL4027619 0.64 CYP3A4 (0.51) CYP17A1CYP3A4
SCHEMBL22284903 0.62 CYP17A1 (0.66) CYP17A1CYP3A4
SCHEMBL5153416 0.60 TSHR (0.50) CYP3A4
SCHEMBL4025856 0.60 CYP17A1 (0.64) CYP17A1CYP3A4
Water SCHEMBL27677129 0.59 TSHR (0.48) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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
EP-3365330-A1 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 disclosed
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 disclosed
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 disclosed
WO-2017070718-A1 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 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 48/4885CYP2C8 82/4885
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 18/4885CYP2C8 45/4885
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 18/4885CYP2C8 45/4885

“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.