SCHEMBL16366609

SCHEMBL16366609

CCNCc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 7/20 0.65
FOLH1 Q04609 1/20 0.56
MYC P01106 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MRGPRX4 Q96LA9 4/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
UNG P13051 1/20 0.51

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
SCHEMBL30444148 1.00 MEP1B (0.65) MEP1BFOLH1MYCNR1H4CA1
SCHEMBL6906260 0.86 MEP1B (0.49) MEP1BMYCSMN1; SMN2
SCHEMBL13660508 0.85 MEP1B (0.60) MEP1BFOLH1MYCNR1H4CA1
Isophthalic Acid SCHEMBL459728 0.83 CA12 (0.52) MEP1BFOLH1CA1CA2PKM
SCHEMBL14143797 0.83 LOXL2 (0.64) MEP1BFOLH1MRGPRX4HIF1ASMN1; SMN2
SCHEMBL805218 0.82 MEP1B (0.59) MEP1BFOLH1NR1H4MRGPRX4HIF1A
SCHEMBL30444058 0.82 MEP1B (0.59) MEP1BFOLH1NR1H4MRGPRX4HIF1A
SCHEMBL22668307 0.82 MEP1B (0.46) MEP1BMYCCA2SMN1; SMN2
SCHEMBL14793785 0.81 MEP1B (0.63) MEP1BFOLH1MYCNR1H4CA1
SCHEMBL991080 0.80 FOLH1 (0.61) FOLH1MRGPRX4HIF1ASMN1; SMN2TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
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 MEP1B 412/4885FOLH1 689/4885MYC 4814/4885

“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.