SCHEMBL2954563

SCHEMBL2954563

O=S(=O)(c1ccccc1Cl)C1CCN(C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CCR1 P32246 11/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
CTSS P25774 4/20 0.46
SLC18A3 Q16572 1/20 0.43

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
SCHEMBL2962880 0.81 ALDH1A1 (0.64) ALDH1A1CCR1MEN1KMT2AMAPK1
SCHEMBL28039072 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2ACTSS
SCHEMBL2956566 0.79 ALDH1A1 (0.67) ALDH1A1CCR1MEN1KMT2AMAPK1
SCHEMBL5244438 0.79 ELOVL6 (0.46) ALDH1A1CCR1L3MBTL1CTSS
SCHEMBL2956822 0.75 CCR1 (0.65) ALDH1A1CCR1
SCHEMBL2953459 0.74 CCR1 (0.60) ALDH1A1CCR1MEN1KMT2AMAPK1
SCHEMBL2963267 0.73 KDM4E (0.67) ALDH1A1CCR1
SCHEMBL3213074 0.73 CTSS (0.57) CTSS
SCHEMBL3223437 0.73 HTR6 (0.47) ALDH1A1L3MBTL1CTSS
SCHEMBL2950540 0.72 CCR1 (0.61) ALDH1A1CCR1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 82/4885CCR1 4518/4885L3MBTL1 4510/4885

“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.