SCHEMBL15919017

SCHEMBL15919017

Cc1ccc2c(c1)SCCC2C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 2/20 0.33
HSD17B2 P37059 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CTSL P07711 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
SCHEMBL464509 0.81 EPHX2 (0.37) EPHX2MEN1KMT2AHTR2CCHRNB2
SCHEMBL12253322 0.80 NOS3 (0.34) EPHX2MEN1KMT2AHTR2CCHRNB2
SCHEMBL12616857 0.76 CTSL (0.35) EPHX2MEN1KMT2ACHRNB2CHRNA4
SCHEMBL2777792 0.76 MEN1 (0.35) EPHX2MEN1KMT2ACHRNB2CHRNA4
SCHEMBL24075123 0.75 USP2 (0.45) MEN1KMT2A
SCHEMBL12651544 0.75 USP2 (0.45) MEN1KMT2A
SCHEMBL12159553 0.75 USP2 (0.45) MEN1KMT2A
SCHEMBL18647492 0.71 CHRNB2 (0.44) KMT2AHTR2CHSD17B2CHRNB2CHRNA4
SCHEMBL12253324 0.71 MEN1 (0.32) MEN1KMT2A
SCHEMBL9144321 0.70 HTR2A (0.34) HTR2CCA1CA2NOS3NOS1

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 EPHX2 631/4885MEN1 1384/4885KMT2A 2450/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 EPHX2 631/4885MEN1 1384/4885KMT2A 2450/4885

“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.