SCHEMBL13698114

SCHEMBL13698114

CN(C)S(=O)(=O)c1ccc2c(c1)C(C(C)(C)C)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
RGS12 O14924 1/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
YES1 P07947 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL13698110 0.83 CA1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13698187 0.78 PGR (0.52) TSHRHTR2CHTR2BMAPTALDH1A1
SCHEMBL14397683 0.78 SLC6A2 (0.40) TSHRHTR2CHTR2BMAPTMEN1
SCHEMBL13698113 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL23869671 0.73 HTR7 (0.39) HTR2CMEN1KMT2APOLB
SCHEMBL27564363 0.73 ALDH1A1 (0.37) TSHRHTR2CHTR2BMAPTMEN1
SCHEMBL14030433 0.69 IDO1 (0.46) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4411083 0.67 CASP3 (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31129985 0.67 HTR2C (0.43) TSHRHTR2CHTR2BMAPTMEN1
SCHEMBL3468480 0.66 GAA (0.49) TSHRMAPTKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 TSHR 387/4885HTR2C 1335/4885HTR2B 2443/4885

“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.