SCHEMBL9977868

SCHEMBL9977868

Bc1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
ALDH1A1 P00352 2/20 0.59
PKM P14618 2/20 0.57
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52
USP2 O75604 2/20 0.52
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
GLA P06280 1/20 0.46
IKBKB O14920 1/20 0.46
MAPK8 P45983 1/20 0.46
TDO2 P48775 1/20 0.46
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13506978 0.82 USP2 (0.76) MAPTALDH1A1PKMUSP2NPC1
SCHEMBL29764424 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL11510345 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL654548 0.81 MAPT (1.00) MAPTALDH1A1PKMUSP2IKBKB
SCHEMBL1797016 0.81 MAPT (0.69) MAPTALDH1A1PKMTDO2PKLR
SCHEMBL6181332 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL651924 0.81 MAPT (0.69) MAPTALDH1A1PKM
SCHEMBL8724931 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL5955341 0.81 MAPT (0.69) MAPTALDH1A1PKM
SCHEMBL16442322 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B MAPT 3677/4885ALDH1A1 2789/4885PKM 4235/4885

“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.