SCHEMBL2959773

SCHEMBL2959773

O=S(=O)(N1CCN(c2ccccc2)CC1)N1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
TP53 P04637 1/20 0.48
AKR1C3 P42330 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.47
LMNA P02545 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
SCHEMBL2954553 0.78 L3MBTL1 (0.49) KMT2AMEN1TSHRTP53L3MBTL1
SCHEMBL4517221 0.78 MAPT (0.45) KMT2AMEN1TSHRDRD2DRD3
SCHEMBL5261945 0.75 TSHR (0.59) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL30866830 0.75 TSHR (0.59) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL5829479 0.74 KMT2A (0.78) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL14498366 0.74 L3MBTL1 (0.57) KMT2AMEN1TSHRL3MBTL1ATM
SCHEMBL12418312 0.73 KMT2A (0.60) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL1134878 0.73 TSHR (0.57) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL692761 0.73 L3MBTL1 (0.60) KMT2AMEN1TSHRTP53AKR1C3
SCHEMBL30958764 0.73 TSHR (0.57) KMT2AMEN1TSHRTP53AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2689/4885TSHR 3888/4885

“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.