SCHEMBL2960552

SCHEMBL2960552

CC1(N2CCN(S(=O)(=O)N3CCNc4ccccc43)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 3/20 0.33
HSD11B1 P28845 1/20 0.32
CCR1 P32246 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
BRS3 P32247 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL2958883 0.78 ALDH1A1 (0.43) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL2954553 0.75 L3MBTL1 (0.49) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL2954376 0.74 NOTUM (0.43) ALDH1A1POLBMAPTCCR1MAPK1
SCHEMBL2962885 0.74 NPC1 (0.49) POLBMAPTMEN1KMT2ANOTUM
SCHEMBL20541090 0.72 AVPR1A (0.39) AVPR1AALDH1A1POLBMAPTBRD4
Hydrochloric Acid SCHEMBL27811171 0.71 AVPR1A (0.41) AVPR1AALDH1A1POLBMAPTBRD4
SCHEMBL5759490 0.70 CYP3A4 (0.64) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL29482655 0.69 KCNN4 (0.49) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL9491524 0.69 KCNN4 (0.49) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL25442270 0.66 CYP3A4 (0.45) ALDH1A1POLBMAPTHSD17B10HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AVPR1A 3103/4885ALDH1A1 82/4885POLB 503/4885

“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.