SCHEMBL2964467

SCHEMBL2964467

CC1(N2CCN(S(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
GAA P10253 1/20 0.40
CNR2 P34972 1/20 0.40
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
EPHX2 P34913 1/20 0.38
PFKFB3 Q16875 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPT P10636 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL4741864 0.83 KMT2A (0.49) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL3020549 0.83 MEN1 (0.54) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL2962426 0.82 SMN1; SMN2 (0.47) KMT2APKMGAAALDH1A1ABL1
SCHEMBL2956944 0.82 KMT2A (0.75) KMT2AMEN1PKMHSD11B1ALDH1A1
SCHEMBL2963400 0.82 ABL1 (0.52) KMT2AMEN1PKMTRPV4GAA
SCHEMBL12656085 0.80 KMT2A (0.51) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL840799 0.79 CNR2 (0.57) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL5442261 0.76 TGM2 (0.52) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL12655990 0.75 L3MBTL1 (0.48) KMT2AMEN1PKMRAB9ATRPV4
SCHEMBL12656087 0.75 RAB9A (0.44) KMT2AMEN1PKMRAB9ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
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 2689/4885PKM 1338/4885

“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.