SCHEMBL2675015

SCHEMBL2675015

CCOC(=O)c1c(S(C)(=O)=O)n(C2CC2)c2c(OC)c(F)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 2/20 0.34
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33
ADRB2 P07550 1/20 0.33
KCNH2 Q12809 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
SCHEMBL14760221 0.89 KMT2A (0.44) GRK6ALDH1A1HTTTSHRKDM4E
SCHEMBL729612 0.88 ADRB2 (0.39) GRK6ALDH1A1KDM4EALOX15HPGD
SCHEMBL537046 0.85 GRK6 (0.37) GRK6ALDH1A1TSHRKDM4EMEN1
SCHEMBL537062 0.83 GRK6 (0.36) GRK6ALDH1A1TSHRKDM4EMEN1
SCHEMBL608352 0.82 GRK6 (0.35) GRK6ALDH1A1HTTTSHRKDM4E
SCHEMBL15077883 0.81 KCNH2 (0.45) ALDH1A1KDM4EALOX15HPGDHSD17B10
SCHEMBL730034 0.80 ADRB2 (0.37) GRK6ADRB2KCNH2
SCHEMBL5908575 0.79 KMT2A (0.43) GRK6ALDH1A1HTTTSHRKDM4E
SCHEMBL729608 0.79 KCNH2 (0.45) ALDH1A1KDM4EALOX15HPGDHSD17B10
SCHEMBL729663 0.79 KCNH2 (0.59) ALDH1A1KDM4EALOX15HPGDHSD17B10

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-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-8173636-B2 Hydroxylthienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256112-A1 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS RECQL, QTRT2, DHX35 GRK6 1794/4885ALDH1A1 2624/4885HTT 297/4885

“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.