SCHEMBL17824705

SCHEMBL17824705

CC(C)C(O)c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
NOS2 P35228 1/20 0.37
AKT1 P31749 3/20 0.35
ROCK2 O75116 6/20 0.35
ROCK1 Q13464 5/20 0.35
AKT2 P31751 2/20 0.34
MAPK8 P45983 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
SCHEMBL1236387 0.82
SCHEMBL16869453 0.79 NOS2 (0.36) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL18272519 0.78 NOS2 (0.38) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL18291459 0.77 KCNH2 (0.42) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL23031949 0.77 KCNH2 (0.42) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL84454 0.77
Hydrochloric Acid SCHEMBL20897673 0.75
SCHEMBL6344963 0.75
SCHEMBL24050461 0.74 KCNH2 (0.39) KCNH2LMNAAPEX1PMP22NOS2
SCHEMBL23586437 0.74

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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
EP-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed
EP-3230273-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG Cancer Research Technology Ltd (GB) 2017-10-18 EP disclosed
WO-2016092326-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-16 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 (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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH KCNH2 2778/4885LMNA 2383/4885APEX1 2996/4885

“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.