SCHEMBL2954396

SCHEMBL2954396

O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
JAK2 O60674 1/20 0.57
CHRM4 P08173 2/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.50
ACLY P53396 1/20 0.49
GCK P35557 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.48
MCL1 Q07820 1/20 0.48
FAAH O00519 1/20 0.47

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
SCHEMBL2953603 0.88 MAPT (0.59) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL2962429 0.88 MEN1 (0.62) CHRM4MEN1KMT2AGAAALDH1A1
SCHEMBL13239828 0.85 MAPT (0.55) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL2956043 0.83 MAPT (0.61) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL12089425 0.83 GCK (0.57) MAPTCHRM4MEN1KMT2ATP53
SCHEMBL2957553 0.83 CHRM4 (0.53) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL10723724 0.82 CHRM4 (0.64) MAPTCHRM4MEN1KMT2AALDH1A1
SCHEMBL5245861 0.82 CHRM4 (0.52) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL2959785 0.81 KMT2A (0.62) MAPTCHRM4MEN1KMT2AGAA
SCHEMBL15798 0.80 GCK (0.77) MAPTCHRM4MEN1KMT2AGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 MAPT 3168/4885JAK2 4655/4885CHRM4 4346/4885

“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.