SCHEMBL16355752

SCHEMBL16355752

CC(C)(C)OC(=O)CN(Cc1ccccc1C(=O)OC(C)(C)C)C(=O)CCc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 10/20 0.47
▸ PRSS2 P07478 10/20 0.47
▸ PRSS3 P35030 10/20 0.47
▸ RXRA P19793 4/20 0.40
▸ NR1H2 P55055 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1H3 Q13133 2/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL16355773 0.87 PRSS1 (0.44) PRSS1PRSS2PRSS3RXRANR1H2
SCHEMBL15876023 0.81 S1PR1 (0.51) ALDH1A1S1PR1PRKXACVR1S1PR5
SCHEMBL18286872 0.77 PRSS1 (0.48) PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL16355821 0.75 LTB4R (0.43) PRSS1PRSS2PRSS3RXRANR1H2
SCHEMBL13195438 0.75 S1PR1 (0.53) ALDH1A1S1PR1PRKXACVR1S1PR5
SCHEMBL16355879 0.73 BCHE (0.42) PRSS1PRSS2PRSS3ALDH1A1S1PR1
SCHEMBL15889199 0.73 PRSS1 (0.62) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL16355816 0.72 NR4A2 (0.40) RXRANR1H2S1PR1PRKXACVR1
SCHEMBL16355782 0.71 ALDH1A1 (0.45) ALDH1A1S1PR1PRKXACVR1S1PR5
SCHEMBL15876231 0.71 FFAR1 (0.62) S1PR1PRKXACVR1S1PR5FFAR1

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
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 — — US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 — — 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 PRSS1 13/4885PRSS2 5/4885PRSS3 10/4885

“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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