SCHEMBL10154071

SCHEMBL10154071

CNC(=O)CCCNS(=O)(=O)c1cccs1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
ALDH1A1 P00352 4/20 0.65
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
PKM P14618 2/20 0.59
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL6127693 0.80 CYP2D6 (0.82) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL6127516 0.80 CYP2D6 (0.82) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1164461 0.79 CYP2D6 (0.74) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL10690110 0.79 TSHR (0.89) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL23052533 0.78 CYP2D6 (0.72) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL9286827 0.77 CYP2D6 (0.66) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL28820376 0.77 USP2 (0.67) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7193591 0.77 CYP2D6 (0.70) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL27601052 0.77 CYP2D6 (0.70) TSHRALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL6122455 0.76 TSHR (0.70) TSHRALDH1A1CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA TSHR 1779/4885ALDH1A1 3496/4885CYP2D6 3130/4885

“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.