SCHEMBL2952941

SCHEMBL2952941

COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 1.00
ALDH1A1 P00352 2/20 1.00
LMNA P02545 3/20 0.86
TSHR P16473 1/20 0.86
SMN1; SMN2 Q16637 1/20 0.86
NPC1 O15118 1/20 0.73
PKLR P30613 1/20 0.73
RAB9A P51151 1/20 0.73
HSD11B1 P28845 1/20 0.71
POLB P06746 2/20 0.69
TP53 P04637 1/20 0.69
MAPT P10636 3/20 0.67
HPGD P15428 1/20 0.67
THRB P10828 1/20 0.65
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ATM Q13315 1/20 0.61

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
SCHEMBL2953594 0.87 ALDH1A1 (0.76) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL1722721 0.86 PKM (1.00) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31315853 0.86 PKM (1.00) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL20887229 0.85 ALDH1A1 (0.74) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2956828 0.85 PKM (0.73) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL616835 0.84 ALDH1A1 (0.78) PKMALDH1A1LMNASMN1; SMN2POLB
SCHEMBL10722295 0.83 KMT2A (0.84) PKMALDH1A1LMNASMN1; SMN2HSD11B1
SCHEMBL6153220 0.81 ALDH1A1 (0.66) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7074604 0.80 SMN1; SMN2 (0.76) PKMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2963235 0.80 ALDH1A1 (0.72) PKMALDH1A1LMNAHSD11B1MAPT

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 PKM 1338/4885ALDH1A1 82/4885LMNA 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.