SCHEMBL13057701

SCHEMBL13057701

C[S+]([O-])c1cc2c(-c3ccccc3)cc(C(=O)O)cc2cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 15/20 0.48
SLC6A2 P23975 3/20 0.47
TMEM97 Q5BJF2 6/20 0.46
DRD5 P21918 4/20 0.46
DRD1 P21728 4/20 0.46
DRD3 P35462 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
ADRB3 P13945 3/20 0.46
ADRA1B P35368 3/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR1A P08908 2/20 0.46
AGTR1 P30556 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 1/20 0.46
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46

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
SCHEMBL13057707 0.88 P2RY14 (0.42) P2RY14TMEM97DRD1SIGMAR1
SCHEMBL13057686 0.80 P2RY14 (0.49) P2RY14SLC6A2TMEM97DRD5DRD1
SCHEMBL13057705 0.79 P2RY14 (0.50) P2RY14SLC6A2TMEM97DRD5DRD1
SCHEMBL2934201 0.79 P2RY14 (0.63) P2RY14SLC6A2TMEM97DRD5DRD1
SCHEMBL13057687 0.70 P2RY14 (0.43) P2RY14TMEM97DRD1SIGMAR1TSPO
SCHEMBL13057703 0.69 P2RY14 (0.42) P2RY14TMEM97DRD1SIGMAR1
SCHEMBL16540094 0.69 BACE1 (0.49) P2RY14SLC6A2TMEM97DRD5DRD1
SCHEMBL3762664 0.68 P2RY14 (0.53) P2RY14TMEM97DRD1SIGMAR1ADRB3
SCHEMBL23796139 0.67 NPSR1 (0.46) P2RY14TMEM97ADRB3ADRA1BKCNH2
SCHEMBL30290138 0.67 NPSR1 (0.46) P2RY14TMEM97ADRB3ADRA1BKCNH2

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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885SLC6A2 1169/4885TMEM97 143/4885

“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.