SCHEMBL453058

SCHEMBL453058

Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(N)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CTRC Q99895 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ADORA3 P0DMS8 7/20 0.41
ADORA1 P30542 2/20 0.39
MAPT P10636 5/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL476659 0.80 CTRC (0.62) MEN1KMT2ACTRCADORA3ADORA1
SCHEMBL451920 0.74 PTGS2 (0.45) MEN1KMT2ACTRCMAPTALDH1A1
SCHEMBL1853389 0.74 CA12 (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL30737409 0.74 CA12 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL5854930 0.73 ALDH1A1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL318720 0.72 TDP1 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL9641312 0.71 ACACB (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL28664347 0.71 ASIC3 (0.46) CA12CA1CA2CA9CA14
SCHEMBL2263241 0.70 MAPT (0.47) MEN1KMT2ACTRCADORA3ADORA1
SCHEMBL1854635 0.70 DHODH (0.48) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 MEN1 4860/4885KMT2A 4191/4885CTRC 4355/4885

“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.