SCHEMBL46964

SCHEMBL46964

BCc1cccc(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.66
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
ANPEP P15144 1/20 0.53
ENPEP Q07075 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
MEP1B Q16820 2/20 0.51
NR4A2 P43354 1/20 0.51
KMT2A Q03164 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.50
MEP1A Q16819 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL371526 0.83 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL70351 0.83 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL30791058 0.83 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL46611 0.82 ALDH1A1 (0.46) FOLH1CYP2D6CYP2C9HIF1AKMT2A
SCHEMBL1777321 0.81 FOLH1 (0.68) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL129182 0.81 FOLH1 (0.68) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL10655399 0.79 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1421808 0.79 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL40393 0.79 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL46935 0.79 BCL2 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
US-20100168114-A1 INVERTEBRATE ACETYLCHOLINESTERASE INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-07-01 US disclosed
US-20080312091-A1 INVERTEBRATE ACETYLCHOLINESTERASE INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2008-12-18 US disclosed
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 WO 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-20100168114-A1 INVERTEBRATE ACETYLCHOLINESTERASE INHIBITORS ACHE, BCHE, CHAT FOLH1 367/4885CYP2D6 399/4885CYP2C9 207/4885

“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.