SCHEMBL2207015

SCHEMBL2207015

CC(C)(C)c1cccc(C(=O)O)c1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
HMGB1 P09429 2/20 0.40
CA2 P00918 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MYC P01106 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.38
RBP4 P02753 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL16418617 0.84 ALOX15 (0.43) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL319241 0.83 ALOX15 (0.42) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL27669069 0.81 HMGB1 (0.55) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL28680684 0.79 CA12 (0.41) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9047787 0.78 ALOX15 (0.38) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL17059404 0.77 HMGB1 (0.47) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL9207376 0.77 G6PD (0.55) ALOX15HMGB1CA2ALDH1A1MYC
SCHEMBL2227278 0.77 ALDH1A1 (0.55) ALOX15HMGB1ALDH1A1MYCKDM4E
SCHEMBL4520357 0.76 SLC7A5 (0.41) ALOX15HMGB1ALDH1A1MYCKDM4E
SCHEMBL29531759 0.76 SLC7A5 (0.41) ALOX15HMGB1ALDH1A1MYCKDM4E

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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
US-20040142945-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 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 (2 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S ALOX15 85/4885HMGB1 458/4885CA2 4196/4885
US-20040142945-A1 Fused heterocyclic compounds and use thereof MCL1, NFATC1, BCR ALOX15 129/4885HMGB1 410/4885CA2 3682/4885

“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.