SCHEMBL14733242

SCHEMBL14733242

COc1ccc(CC(=O)NN(C)C)cc1Oc1ccc(N)cc1CSC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CTSD P07339 2/20 0.43
GAA P10253 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
STAT3 P40763 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14715933 0.87 CYP3A4 (0.61) CYP3A4CTSDGAAKMT2APOLB
SCHEMBL12515042 0.86 CYP3A4 (0.41) CYP3A4CTSDGAAKMT2APOLB
SCHEMBL14733251 0.85 CYP3A4 (0.78) CYP3A4KMT2APOLBBCHEACHE
SCHEMBL349119 0.82 CYP3A4 (0.55) CYP3A4CTSDGAAKMT2APOLB
SCHEMBL13521926 0.75 CYP3A4 (0.69) CYP3A4GAAKMT2AMAPTLMNA
SCHEMBL14733241 0.74 CYP3A4 (0.68) CYP3A4GAAKMT2APOLBBCHE
SCHEMBL14733252 0.74 CYP3A4 (0.81) CYP3A4KMT2APOLBBCHEACHE
SCHEMBL12515659 0.73 CYP3A4 (0.58) CYP3A4KMT2ACYP2D6MAPTCYP2C9
SCHEMBL349807 0.72 CYP3A4 (0.79) CYP3A4KMT2APOLBBCHEACHE
SCHEMBL2280648 0.72 CYP3A4 (0.68) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 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-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885CTSD 2750/4885GAA 3084/4885

“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.