SCHEMBL45702

SCHEMBL45702

O=C1c2ccc(F)cc2C(=O)c2oc(S(=O)(=O)c3ccc(F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PTGS2 P35354 5/20 0.35
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
USP1 O94782 1/20 0.33
USP19 O94966 1/20 0.33
UCHL3 P15374 1/20 0.33
HTR6 P50406 1/20 0.33
AKR1B1 P15121 1/20 0.33
PGAM1 P18669 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARG Q86W56 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
SCHEMBL15024455 0.92 TLR9 (0.38) MAPTPTGS2ALDH1A1
SCHEMBL15026353 0.90 ALDH1A1 (0.44) MAPTLMNAPKMPTGS2ALDH1A1
SCHEMBL45711 0.82 PTGS2 (0.39) PTGS2ALDH1A1STAT3
SCHEMBL15026352 0.80 USP8 (0.35) PTGS2ALDH1A1STAT3USP1USP19
SCHEMBL15024250 0.75 ALDH1A1 (0.48) MAPTALDH1A1STAT3PGAM1SMN1; SMN2
SCHEMBL45659 0.75 ALDH1A1 (0.33) ALDH1A1STAT3USP1USP19UCHL3
SCHEMBL19668949 0.73 STAT3 (0.41) PTGS2ALDH1A1STAT3USP1USP19
SCHEMBL9328908 0.72 CA1 (0.52) ALDH1A1TP53SMN1; SMN2
SCHEMBL3715764 0.72 STAT3 (0.54) PTGS2ALDH1A1STAT3USP1USP19
SCHEMBL45660 0.71 STAT3 (0.37) PTGS2ALDH1A1STAT3USP1USP19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 MAPT 3136/4885LMNA 1205/4885PKM 2175/4885

“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.