SCHEMBL16148236

SCHEMBL16148236

O=S(=O)(Nc1cccc(-n2cnc3ccccc32)c1)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FGFR1 P11362 6/20 0.43
NR1I2 O75469 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
VCP P55072 1/20 0.39
HTR6 P50406 1/20 0.39
PFKFB4 Q16877 1/20 0.38

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
SCHEMBL17498757 0.91 ALDH1A1 (0.44) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL17498739 0.84 ALDH1A1 (0.46) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL17531429 0.82 HPGD (0.59) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL17498797 0.81 VCP (0.47) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL16147997 0.79 KDM4E (0.47) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL17531426 0.78 HPGD (0.48) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL16148237 0.77 MMP2 (0.76) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL17498838 0.77 FGFR1 (0.46) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL16147335 0.77 KDM4E (0.47) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL16148218 0.77 FGFR1 (0.49) ALDH1A1HTTMAPTFGFR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991644-B1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIV MARYLAND (US) 2020-03-25 EP disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
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
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP 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
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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 (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 MMP2 1863/4885MMP9 2012/4885MMP8 2765/4885

“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.