SCHEMBL16632985

SCHEMBL16632985

OB(c1ccc2sc3ccccc3c2c1)c1ccc2sc3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.54
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTPN7 P35236 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42
▸ PTPN22 Q9Y2R2 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PCSK9 Q8NBP7 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38

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
SCHEMBL31818 0.89 GPR3 (0.54) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL2406507 0.89 TRPV6 (0.54) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL16934706 0.79 MGLL (0.50) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL28130639 0.79 GPR3 (0.78) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL28381023 0.79 GPR3 (0.78) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL25695834 0.78 GPR3 (0.45) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL30408508 0.77 CA2 (0.41) ALDH1A1KDM4EMGLL
SCHEMBL1792101 0.77 CA2 (0.41) ALDH1A1KDM4EMGLL
SCHEMBL2158388 0.77 GPR3 (0.54) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL29418151 0.77 GPR3 (0.54) GPR3MAPTALDH1A1RAB9AHPGD

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
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 — — EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 — — 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B GPR3 809/4885MAPT 3931/4885ALDH1A1 287/4885

“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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