SCHEMBL529068

SCHEMBL529068

NC12CC3CC(C1)CC(NC(=O)O)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PKM P14618 1/20 0.46
PBK Q96KB5 2/20 0.45
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 4/20 0.44
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2D O15399 4/20 0.39
GRIN3B O60391 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2B Q13224 4/20 0.39
GRIN2C Q14957 4/20 0.39
GRIN3A Q8TCU5 4/20 0.39
SLC22A2 O15244 1/20 0.38

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
SCHEMBL18047302 0.86 EPHX2 (0.52) EPHX2EPHX1TSHRMEN1KMT2A
SCHEMBL6058450 0.84 TSHR (0.46) POLBPKMPBKTHRBCYP2C9
SCHEMBL30685066 0.81 DPP8 (0.46) POLBPKMPBKTHRBCYP2C9
SCHEMBL6229153 0.81 DPP8 (0.47) POLBPKMPBKDPP8DPP9
SCHEMBL3374604 0.80 JAK2 (0.51) POLBPKMPBKDPP8DPP9
SCHEMBL2851919 0.79 ALDH1A1 (0.47) PKMDPP8DPP9EPHX2EPHX1
SCHEMBL6155951 0.79 PKM (0.47) POLBPKMPBKTHRBDPP8
SCHEMBL2638326 0.78 TSHR (0.42) POLBPKMPBKDPP8DPP9
SCHEMBL3378752 0.78 PBK (0.41) POLBPKMPBKTHRBCYP2C9
SCHEMBL2638369 0.78 EPHX2 (0.41) POLBPKMPBKDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES THE SCRIPPS RESEARCH INSTITUTE 2024-05-30 US disclosed
EP-4281439-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES The Scripps Research Institute (US) 2023-11-29 EP disclosed
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 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 (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-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES DPP4, DPP7, DPP3 POLB 4147/4885PKM 2842/4885PBK 4789/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 POLB 2238/4885PKM 1594/4885PBK 1681/4885

“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.