SCHEMBL2962711

SCHEMBL2962711

O=S(=O)(c1ccccc1Cl)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD11B1 P28845 1/20 0.55
HPGD P15428 1/20 0.54
FAAH O00519 2/20 0.51
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.49

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
SCHEMBL2956822 0.87 CCR1 (0.65) CCR1KDM4EALDH1A1FAAHGAA
SCHEMBL2963267 0.86 KDM4E (0.67) CCR1KDM4EALDH1A1GAA
SCHEMBL3247291 0.85 CNR1 (0.56) KMT2AGAA
SCHEMBL2953459 0.84 CCR1 (0.60) CCR1ALDH1A1FAAHKMT2A
SCHEMBL6110961 0.81 KMT2A (0.53) CCR1KDM4EALDH1A1SMN1; SMN2HSD11B1
SCHEMBL2962880 0.81 ALDH1A1 (0.64) CCR1ALDH1A1KMT2A
SCHEMBL2956566 0.80 ALDH1A1 (0.67) CCR1KDM4EALDH1A1KMT2AGAA
SCHEMBL3219636 0.77 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2HSD11B1HPGD
SCHEMBL10723724 0.77 CHRM4 (0.64) ALDH1A1SMN1; SMN2FAAHKMT2A
SCHEMBL2952894 0.74 CCR1 (0.65) CCR1ALDH1A1KMT2A

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 12 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
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US 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 (3 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CCR1 1891/4885KDM4E 1296/4885ALDH1A1 116/4885
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 CCR1 4518/4885KDM4E 3234/4885ALDH1A1 82/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CCR1 1514/4885KDM4E 1360/4885ALDH1A1 123/4885

“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.