SCHEMBL2956944

SCHEMBL2956944

CC1(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
MEN1 O00255 2/20 0.75
ALDH1A1 P00352 2/20 0.55
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRM4 P08173 1/20 0.48
GBA1 P04062 2/20 0.48
MAPT P10636 1/20 0.47
HSD11B1 P28845 2/20 0.46
NR3C1 P04150 1/20 0.46
CCR1 P32246 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL2964467 0.82 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTHSD11B1
SCHEMBL31684031 0.81 KMT2A (0.87) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL2956787 0.80 CCR1 (0.65) KMT2ALMNAHTTTSHRMAPK1
SCHEMBL27596864 0.79 KMT2A (0.84) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL30032582 0.78 KMT2A (0.81) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4420766 0.78 KMT2A (0.81) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27500250 0.78 KMT2A (0.81) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL18711924 0.78 KMT2A (0.75) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL8260988 0.77 KMT2A (0.74) KMT2AMEN1ALDH1A1LMNACHRM4
SCHEMBL18711931 0.77 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNAHTT

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 2689/4885ALDH1A1 82/4885

“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.