SCHEMBL2959280

SCHEMBL2959280

CC1(N2CCN(S(=O)(=O)c3csc4ccccc34)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HMOX1 P09601 1/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.42
CCR1 P32246 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37

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
SCHEMBL12626562 0.79 HTR6 (0.52) HTR6HSD17B10CASP1CASP7HMOX1
SCHEMBL2962437 0.77 KMT2A (0.64) MAPTMEN1KMT2ACCR1POLB
SCHEMBL2956097 0.76 ALDH1A1 (0.68) MEN1KMT2ACCR1POLBALDH1A1
SCHEMBL2956787 0.75 CCR1 (0.65) KMT2ACCR1POLBTSHRLMNA
SCHEMBL12621873 0.74 HTR6 (0.46) HTR6POLBALDH1A1
SCHEMBL12624092 0.73 HTR6 (0.45) HTR6HSD17B10CASP1CASP7HMOX1
SCHEMBL15381302 0.72 HTR6 (0.45) HTR6HMOX1MEN1KMT2APOLB
SCHEMBL3202139 0.72 HSD11B1 (0.58) HTR6POLBALDH1A1SMN1; SMN2HTT
SCHEMBL2949885 0.72 CCR1 (0.42) MEN1KMT2ACCR1POLBALDH1A1
SCHEMBL2962523 0.72 POLB (0.47) MAPTMEN1KMT2ACCR1POLB

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 HTR6 2422/4885HSD17B10 11/4885CASP1 4409/4885

“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.