SCHEMBL2962437

SCHEMBL2962437

CC1(N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
CNR1 P21554 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD11B1 P28845 1/20 0.48
TGM2 P21980 1/20 0.47
GPR183 P32249 1/20 0.47
EPHX2 P34913 1/20 0.46
CCR1 P32246 1/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL8564336 0.86 MEN1 (0.83) KMT2AMEN1MAPTTP53TSHR
SCHEMBL2955812 0.84 PRKD3 (0.66) KMT2AMEN1TP53TSHRSMN1; SMN2
SCHEMBL2956097 0.82 ALDH1A1 (0.68) KMT2AMEN1TSHRSMN1; SMN2CCR1
SCHEMBL2956787 0.81 CCR1 (0.65) KMT2ATSHRCCR1POLBLMNA
SCHEMBL7216688 0.80 KMT2A (0.97) KMT2AMEN1MAPTTP53TSHR
SCHEMBL2960427 0.79 MEN1 (0.59) KMT2AMEN1MAPTTP53TSHR
SCHEMBL6568319 0.79 MEN1 (0.71) KMT2AMEN1MAPTTP53TSHR
SCHEMBL1063351 0.79 KMT2A (1.00) KMT2AMEN1MAPTTP53TSHR
SCHEMBL4391751 0.77 CNR1 (0.61) KMT2AMEN1MAPTTP53TSHR
SCHEMBL2956799 0.77 CCR1 (0.52) KMT2AMAPTTSHRHSD11B1CCR1

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 KMT2A 3335/4885MEN1 2689/4885MAPT 3168/4885

“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.