SCHEMBL2963267

SCHEMBL2963267

O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
GAA P10253 1/20 0.67
CCR1 P32246 11/20 0.64
ALDH1A1 P00352 2/20 0.63
CHRM4 P08173 2/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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 0.98 CCR1 (0.65) KDM4EGAACCR1ALDH1A1CHRM4
SCHEMBL2956566 0.88 ALDH1A1 (0.67) KDM4EGAACCR1ALDH1A1CHRM4
SCHEMBL2962880 0.87 ALDH1A1 (0.64) CCR1ALDH1A1CHRM4
SCHEMBL2953459 0.86 CCR1 (0.60) CCR1ALDH1A1CHRM4
SCHEMBL2962711 0.86 CCR1 (0.60) KDM4EGAACCR1ALDH1A1
SCHEMBL4555453 0.84 TSHR (0.78) KDM4EALDH1A1CHRM4TSHRCYP3A4
SCHEMBL31684034 0.84 TSHR (0.78) KDM4EALDH1A1CHRM4TSHRCYP3A4
SCHEMBL2950540 0.83 CCR1 (0.61) CCR1ALDH1A1CHRM4
SCHEMBL2952894 0.82 CCR1 (0.65) CCR1ALDH1A1CHRM4
SCHEMBL2960459 0.81 CHRM4 (0.50) CCR1CHRM4TSHRCYP3A4CYP2C9

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 KDM4E 3234/4885GAA 455/4885CCR1 4518/4885

“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.