SCHEMBL22313380

SCHEMBL22313380

CCCCCC(CCCC)c1ocnc1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
TP53 P04637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL21918916 0.97 NR1I2 (0.38) NR1I2TP53CA12CA1CA2
SCHEMBL19997545 0.76 ALDH1A1 (0.30)
SCHEMBL21026101 0.73 NR1I2 (0.33) NR1I2
SCHEMBL24023229 0.73 NR1I2 (0.33) NR1I2
SCHEMBL21899704 0.73 GLP1R (0.33)
SCHEMBL21899253 0.72 GLP1R (0.35)
SCHEMBL21031499 0.72 NR1I2 (0.32) NR1I2
SCHEMBL22481779 0.69 GLP1R (0.30) CA12CA1CA2CA9
SCHEMBL30107919 0.65 NR1I2 (0.43) NR1I2TP53CA2
SCHEMBL21854473 0.64

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-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 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 (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-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 NR1I2 34/4885TP53 706/4885CA12 969/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 NR1I2 34/4885TP53 706/4885CA12 969/4885

“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.