SCHEMBL2962426

SCHEMBL2962426

Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C2(C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.45
EPHX2 P34913 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2963400 0.86 ABL1 (0.52) GAALMNAPKML3MBTL1POLB
SCHEMBL1156054 0.82 L3MBTL1 (0.65) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL15010193 0.82 L3MBTL1 (0.62) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL2964467 0.82 KMT2A (0.49) GAAPKMALDH1A1EPHX2MAPT
SCHEMBL14501626 0.81 L3MBTL1 (0.65) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL12626344 0.80 EPHX2 (0.48) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL2927007 0.78 ALDH1A1 (0.66) SMN1; SMN2LMNAPKML3MBTL1ALDH1A1
SCHEMBL5436955 0.74 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL12624157 0.74 ALDH1A1 (0.42) SMN1; SMN2GAALMNAPKML3MBTL1
SCHEMBL2226727 0.73 TGM2 (0.64) LMNAEPHX2MAPT

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 SMN1; SMN2 4417/4885GAA 455/4885LMNA 2965/4885

“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.