SCHEMBL13327063

SCHEMBL13327063

Cc1ccc(S(=O)(=O)OCCn2c(=O)n(CCOS(=O)(=O)c3ccc(C)cc3)c(=O)n(CCOS(=O)(=O)c3ccc(C)cc3)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ VDR P11473 1/20 0.44
▸ CYP2D6 P10635 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ CYP24A1 Q07973 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PSMD10 O75832 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
SCHEMBL13359911 0.93 PTGS2 (0.41) PTGS2CA12CA1CA9VDR
SCHEMBL241884 0.82 CA1 (0.52) CA12CA1CA9VDRCYP2D6
SCHEMBL3975042 0.81 L3MBTL1 (0.49) CA12CA1CA9CYP2D6ALDH1A1
SCHEMBL22497343 0.81 ALDH1A1 (0.45) CA12CA1CA9VDRCYP2D6
SCHEMBL1581431 0.80 PTGS2 (0.62) PTGS2VDRCYP24A1GAAALDH1A1
SCHEMBL19733679 0.79 MBTD1 (0.55) MEN1RAB9AKMT2APKM
SCHEMBL30225654 0.78 HPGD (0.60) CA1CA9VDRMMP2ALDH1A1
SCHEMBL3694647 0.78 HPGD (0.60) CA1CA9VDRMMP2ALDH1A1
SCHEMBL890725 0.78 ALDH1A1 (0.50) CA12CA1CA9VDRCYP2D6
Water SCHEMBL7788572 0.78 CA1 (0.50) CA12CA1CA9VDRCYP2D6

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-7723322-B2 Fluoride carrier for positron emission tomography THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-25 — — US disclosed
US-20070232521-A1 Fluoride carrier for positron emission tomography REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-04 — — US disclosed
US-20070232521-A1 Fluoride carrier for positron emission tomography REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-04 — — 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-20070232521-A1 Fluoride carrier for positron emission tomography AFF1, SLC67A1, SLC1A5 PTGS2 4755/4885CA12 938/4885CA1 691/4885

“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.

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