SCHEMBL13245111

SCHEMBL13245111

CC(C)(C)c1ccc2c(c1)NC(=O)OC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TRPV1 Q8NER1 4/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CYP19A1 P11511 1/20 0.33
IMPDH2 P12268 1/20 0.33
CA9 Q16790 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
SCHEMBL2054589 0.87 CYP11B1 (0.48) CYP11B1CYP11B2KIF11ALDH1A1TRPV1
SCHEMBL436631 0.78 MMP12 (0.51) CYP11B1CYP11B2ALDH1A1PDE3BPDE3A
SCHEMBL13524333 0.75 KIF11 (0.47) CYP11B1CYP11B2KIF11ALDH1A1TRPV1
SCHEMBL27418882 0.75 MEN1 (0.44) KIF11ALDH1A1TRPV1CA9MEN1
SCHEMBL762356 0.75 CA9 (0.59) KIF11ALDH1A1TRPV1NPC1CA9
SCHEMBL29754425 0.75 CA9 (0.59) KIF11ALDH1A1TRPV1NPC1CA9
SCHEMBL6125101 0.75 AHR (0.56) KIF11TRPV1CA9MEN1KMT2A
SCHEMBL3586629 0.75 CA9 (0.54) CYP11B1CYP11B2NPC1RAB9AL3MBTL1
SCHEMBL15788033 0.75 CYP11B1 (0.41) CYP11B1CYP11B2CA9PDE3BPDE3A
SCHEMBL3586627 0.75 CYP11B1 (0.41) CYP11B1CYP11B2CA9PDE3BPDE3A

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
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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 (3 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-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN CYP11B1 3296/4885CYP11B2 3227/4885KIF11 3405/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN CYP11B1 3296/4885CYP11B2 3227/4885KIF11 3405/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CYP11B1 3865/4885CYP11B2 3961/4885KIF11 413/4885

“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.