SCHEMBL5494452

SCHEMBL5494452

CCCCCc1ccc2c(c1)[S+]([O-])CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37
HSPE1 P61604 1/20 0.37
HIF1A Q16665 1/20 0.37
TST Q16762 1/20 0.37

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
SCHEMBL9685789 0.95 SKP2 (0.41) SKP2ALDH1A1LMNATP53CYP3A4
SCHEMBL6541584 0.88 SKP2 (0.37) SKP2ESR1ADRA2AADORA3TACR2
SCHEMBL8114298 0.85 HRH1 (0.37) HTR2ASIGMAR1
SCHEMBL9204489 0.83 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL7756751 0.77 SIGMAR1 (0.44) SLC6A2SLC6A4SLC6A3HTR2CCHRM2
SCHEMBL7765516 0.76 RECQL (0.31)
SCHEMBL9449426 0.74 SIGMAR1 (0.57) HTR2CHTR2ASIGMAR1
SCHEMBL8785431 0.72 HTR1A (0.57) SLC6A4HTR2CADRA2CHTR2ASIGMAR1
SCHEMBL27450752 0.72 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3ADRA2CHTR2A
SCHEMBL9484633 0.72 HSD17B3 (0.44) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
EP-1678170-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS Yang Ji Chemical Company Ltd. (KR) 2006-07-12 EP disclosed
WO-2005033104-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS YANG JI CHEMICAL COMPANY, LTD (KR) 2005-04-14 WO disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 SKP2 274/4885ESR1 25/4885ADRA2A 1170/4885

“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.