SCHEMBL16632900

SCHEMBL16632900

OB(c1cccc2c1sc1ccccc12)c1cccc2c1sc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
ALOX5 P09917 1/20 0.45
PARP14 Q460N5 1/20 0.42
MAPT P10636 5/20 0.40
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
ERCC5 P28715 1/20 0.35

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
SCHEMBL24457 0.89 MAPT (0.48) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL29400549 0.89 MAPT (0.48) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL22146731 0.82 GPR3 (0.42) GPR3ALOX5PARP14MAPTORAI1
SCHEMBL22146736 0.82 GPR3 (0.42) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL16553275 0.81 PARP14 (0.54) GPR3ALOX5PARP14MAPTALDH1A1
SCHEMBL21125999 0.81 GPR3 (0.45) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL16541570 0.80 GPR3 (0.43) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL22146741 0.80 GPR3 (0.39) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL18455703 0.79 PARP14 (0.55) GPR3ALOX5PARP14MAPTALDH1A1
SCHEMBL31512203 0.79 PARP14 (0.55) GPR3ALOX5PARP14MAPTALDH1A1

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 809/4885ALOX5 335/4885PARP14 847/4885

“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.