SCHEMBL2962880

SCHEMBL2962880

O=S(=O)(c1ccccc1Cl)N1CCN(C2CCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
CCR1 P32246 10/20 0.57
CHRM4 P08173 5/20 0.53
CHRM2 P08172 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL2956566 0.98 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPK1CCR1
SCHEMBL2953459 0.94 CCR1 (0.60) ALDH1A1MEN1KMT2AMAPK1CCR1
SCHEMBL2950540 0.90 CCR1 (0.61) ALDH1A1MEN1KMT2AMAPK1CCR1
SCHEMBL2952894 0.89 CCR1 (0.65) ALDH1A1MEN1KMT2AMAPK1CCR1
SCHEMBL2956822 0.88 CCR1 (0.65) ALDH1A1CCR1CHRM4
SCHEMBL2963267 0.87 KDM4E (0.67) ALDH1A1CCR1CHRM4
SCHEMBL2954371 0.86 KMT2A (0.59) ALDH1A1MEN1KMT2AMAPK1CCR1
SCHEMBL10723724 0.83 CHRM4 (0.64) ALDH1A1MEN1KMT2AMAPK1CHRM4
SCHEMBL2955831 0.83 SLC18A3 (0.50) CCR1CHRM4CHRM2CHRM5CHRM1
SCHEMBL2955834 0.83 SLC18A3 (0.50) CCR1CHRM4CHRM2CHRM5CHRM1

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 ALDH1A1 82/4885MEN1 2689/4885KMT2A 3335/4885

“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.