SCHEMBL19730140

SCHEMBL19730140

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
GAA P10253 2/20 0.37
AHR P35869 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 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
SCHEMBL19730143 0.75 JAK1 (0.35) DHPS
SCHEMBL19730141 0.75 PARP1 (0.44)
SCHEMBL19730142 0.75 NUDT1 (0.45)
SCHEMBL28277853 0.75 MAPT (0.45) MAPTMEN1KMT2ALMNATP53
SCHEMBL7849824 0.75 DHPS (0.41) DHPSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27658621 0.75 DHPS (0.52) DHPSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12543813 0.72 HTR1A (0.43) DHPSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17183930 0.72 AKT1 (0.35) GAAMAPTLMNAKDM4ETSHR
SCHEMBL3853276 0.72 HTR1A (0.48) MAPTMEN1KMT2AHTR1AHTR1B
SCHEMBL14185150 0.71 DHPS (0.60) DHPSMAPTMEN1KMT2ATP53

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 DHPS 1984/4885TUBB4A 4339/4885TUBB 4234/4885

“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.