SCHEMBL2907453

SCHEMBL2907453

COc1ccc(N(Cc2cncs2)c2cccc(C(=O)OC(C)(C)C)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEP1B Q16820 1/20 0.34
BUB1 O43683 1/20 0.33
CTSL P07711 1/20 0.33
HSD17B2 P37059 1/20 0.33
ACHE P22303 1/20 0.33
MAPK14 Q16539 1/20 0.33
LTC4S Q16873 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2908021 0.92 HTT (0.36) TMPRSS15KDM4EALDH1A1MAPTBUB1
SCHEMBL3123577 0.88 CTSL (0.35) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3203001 0.88 POLB (0.35) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2905035 0.88 LMNA (0.45) MEP1BCTSLACHEMAPK14LTC4S
SCHEMBL16160308 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3126048 0.88 SREBF1 (0.41) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2901912 0.87 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2908816 0.86 MKNK1 (0.38) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3219592 0.85 NR1H2 (0.40) KDM4EMAPTMAPK14SLC7A5RAB9A
SCHEMBL3202579 0.84 PDE4B (0.43)

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-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 US disclosed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B TMPRSS15 1290/4885KDM4E 252/4885ALDH1A1 300/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TMPRSS15 27/4885KDM4E 3322/4885ALDH1A1 289/4885

“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.