SCHEMBL2963400

SCHEMBL2963400

CC1(N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR1 P32246 2/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TRPV4 Q9HBA0 2/20 0.41
HSD11B1 P28845 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
ENPP2 Q13822 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
SCHEMBL2962426 0.86 SMN1; SMN2 (0.47) ABL1RIN1PKMKMT2AGAA
SCHEMBL2953590 0.83 EPHX2 (0.47) MEN1PKMKMT2ACCR1GAA
SCHEMBL4244000 0.82 L3MBTL1 (0.64) ABL1RIN1MEN1PKMKMT2A
SCHEMBL2964467 0.82 KMT2A (0.49) ABL1RIN1MEN1PKMKMT2A
SCHEMBL15010830 0.81 TSHR (0.62) MEN1PKMKMT2AGAAL3MBTL1
SCHEMBL2959205 0.80 TRPV4 (0.50) TRPV4HSD11B1
SCHEMBL2956787 0.80 CCR1 (0.65) KMT2ACCR1GAATSHRHTT
SCHEMBL2956799 0.73 CCR1 (0.52) KMT2ACCR1TSHRLMNAHSD11B1
SCHEMBL12622158 0.73 L3MBTL1 (0.52) ABL1RIN1MEN1PKMKMT2A
SCHEMBL20003572 0.73 TRPV4 (0.50) ABL1RIN1MEN1PKMKMT2A

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 ABL1 3549/4885RIN1 2967/4885MEN1 2689/4885

“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.