SCHEMBL15918970

SCHEMBL15918970

Cc1cc2c(s1)CN(C)S2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PNMT P11086 1/20 0.30

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
SCHEMBL3919487 0.77 MEN1 (0.32) TSHRMEN1CYP2C19RAB9AKMT2A
SCHEMBL15919084 0.77
SCHEMBL15919040 0.70 GRIA1 (0.33) BRD4PNMT
SCHEMBL14959571 0.69 BRD4 (0.33) RAB9ABRD4CA12CA1CA2
SCHEMBL26667759 0.67 BRD4 (0.50) BRD4CA12CA1CA2CA9
SCHEMBL26667859 0.64 CA7 (0.35) BRD4
SCHEMBL16479817 0.64
SCHEMBL6921365 0.63 BRD4 (0.40) BRD4CA12CA1CA2CA9
SCHEMBL27398202 0.62 MEN1 (0.51) TSHRMEN1CYP2C19RAB9AKMT2A
SCHEMBL26667857 0.61 BRD4 (0.39) MEN1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (2 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TSHR 449/4885MEN1 1384/4885CYP2C19 4544/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TSHR 449/4885MEN1 1384/4885CYP2C19 4544/4885

“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.