SCHEMBL17538348

SCHEMBL17538348

COc1cc2c(cc1OC(=S)n1ccnc1)CCC(C)C2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 2/20 0.34
CHRNA7 P36544 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL19366285 0.89 MAOA (0.33) MAOASMN1; SMN2MAPTHTTTSHR
SCHEMBL17538347 0.88 SMN1; SMN2 (0.40) MAOASMN1; SMN2TSHRKDM4EBRD4
SCHEMBL17538307 0.81 ACHE (0.36) SMN1; SMN2MAPTHTTCYP19A1
SCHEMBL17531505 0.81 SLC18A2 (0.32) SMN1; SMN2
SCHEMBL19366291 0.81 MEN1 (0.33) SMN1; SMN2MAPTHTTKDM4ENQO2
SCHEMBL19366287 0.77 SMN1; SMN2 (0.37) MAOASMN1; SMN2KDM4EBRD4CA1
SCHEMBL17538357 0.77 CYP19A1 (0.49) MAOASMN1; SMN2TSHRBRD4CA1
SCHEMBL17538350 0.75 MAPT (0.38) SMN1; SMN2MAPTHTTCHRNA7ALDH1A1
SCHEMBL17538342 0.71 TBXAS1 (0.40) SMN1; SMN2MAPTCYP19A1
SCHEMBL17531504 0.70 SLC18A2 (0.34) SMN1; SMN2KDM4ECA1CA2NQO2

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-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 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 (1 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 MAOA 3899/4885SMN1; SMN2 106/4885MAPT 2604/4885

“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.