SCHEMBL13267993

SCHEMBL13267993

Cc1cc(C(=O)OC(C)C)nc(C(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA7 P43166 6/20 0.38
CA9 Q16790 6/20 0.38
CA14 Q9ULX7 6/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PTPN11 Q06124 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL3114046 0.86 ALDH1A1 (0.43) MAPTALDH1A1CA12CA1CA2
SCHEMBL14780958 0.82 ALDH1A1 (0.37) MAPTALDH1A1CA12CA1CA2
SCHEMBL31427607 0.73 ALDH1A1 (0.46) MAPTALDH1A1CA12CA1CA2
SCHEMBL31427618 0.73 ALDH1A1 (0.50) MAPTALDH1A1CA12CA1CA2
SCHEMBL11648212 0.72 CA12 (0.44) MAPTALDH1A1CA12CA1CA2
SCHEMBL26906287 0.71 NQO2 (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14653302 0.68 SMN1; SMN2 (0.49) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL23471197 0.68 CA12 (0.51) MAPTALDH1A1CA12CA1CA2
SCHEMBL30250540 0.68 KMT2A (0.43) MAPTALDH1A1CA12CA1CA2
SCHEMBL23998413 0.68 KMT2A (0.43) MAPTALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 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-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 MAPT 3374/4885ALDH1A1 502/4885CA12 4881/4885

“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.