SCHEMBL21899251

SCHEMBL21899251

CC(C)c1ncc(NS(C)(=O)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CSF1R P07333 2/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ PIK3CB P42338 2/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL14415019 0.76 HCAR2 (0.38) ALDH1A1CSF1RNPC1RAB9AHSD17B10
SCHEMBL22096431 0.75 CSF1R (0.36) ALDH1A1CSF1RNPC1RAB9ASMN1; SMN2
SCHEMBL17206953 0.75 CSF1R (0.36) ALDH1A1CSF1RNPC1RAB9ASMN1; SMN2
SCHEMBL21919620 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21899248 0.72 FFAR2 (0.38) —
SCHEMBL22481780 0.71 CA1 (0.38) L3MBTL1ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL21401470 0.70 CCNE1 (0.53) L3MBTL1ALDH1A1CSF1RNPC1RAB9A
SCHEMBL21610561 0.67 ALDH1A1 (0.31) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5511537 0.67 CA2 (0.37) —
SCHEMBL21919621 0.64 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1NPC1PIK3CBKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF ESSA PHARMA INC. (CA) 2022-06-30 — — US disclosed
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
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 — — 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 (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-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF AR, SHBG, NR5A1 L3MBTL1 4840/4885ALDH1A1 1104/4885CSF1R 3391/4885
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 L3MBTL1 4754/4885ALDH1A1 758/4885CSF1R 4282/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 L3MBTL1 4754/4885ALDH1A1 758/4885CSF1R 4282/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 L3MBTL1 4754/4885ALDH1A1 758/4885CSF1R 4282/4885

“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.

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