SCHEMBL13082255

SCHEMBL13082255

O=Cc1cc(-c2ccccc2)c2cc(S)c(O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PELI1 Q96FA3 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33

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
SCHEMBL13082257 0.81 GPR84 (0.37) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL17945069 0.76 MEN1 (0.55) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL13082254 0.75 ADORA2A (0.31) BACE1ADORA2AADORA1
SCHEMBL9472211 0.73 PTPN1 (0.53) BACE1ALDH1A1HPGDPELI1PTPN1
SCHEMBL6744610 0.73 PTPN1 (0.49) BACE1ALDH1A1HPGDKDM4EPELI1
SCHEMBL9763217 0.71 PELI1 (0.62) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL31194720 0.71 PELI1 (0.62) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL3933848 0.69 KDM4E (0.57) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6516139 0.66 KDM4E (0.64) ALDH1A1HPGDKDM4ECYP2A6EGFR
SCHEMBL5460091 0.66 PTPN1 (0.74) HPGDMCL1PTPN1PTPN6HSD17B10

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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 — — 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 BACE1 2096/4885ALDH1A1 2522/4885HPGD 1446/4885

“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.

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