SCHEMBL12137652

SCHEMBL12137652

Cc1cc(C(=O)ON2C(=O)CCC2=O)ccc1CNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
AVPR2 P30518 9/20 0.38
F10 P00742 1/20 0.38
EPHX2 P34913 1/20 0.38
KLKB1 P03952 2/20 0.35

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
SCHEMBL26167881 0.87 P2RX7 (0.40) P2RX7AVPR2EPHX2
SCHEMBL20382338 0.86
SCHEMBL13198116 0.86 KLK1 (0.32)
SCHEMBL9715241 0.81 F2 (0.38)
SCHEMBL17586136 0.78 SLC7A5 (0.38) F10
Hydrochloric Acid SCHEMBL9715397 0.78 F10 (0.42) F10
SCHEMBL27098277 0.75 GRIN1 (0.32) F10KLKB1
SCHEMBL3867866 0.74 ALDH1A1 (0.45)
SCHEMBL26729992 0.73 LMNA (0.37)
SCHEMBL7327634 0.71 HPGD (0.46) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074541-A1 Prosthetic Compounds for Labeling Internalizing Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-17 US disclosed
US-20110280803-A1 RADIOIODINATION METHOD GE HEALTHCARE UK LIMITED (GB) 2011-11-17 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-20110280803-A1 RADIOIODINATION METHOD TPO, SSTR5, DAO P2RX7 4471/4885AVPR2 105/4885F10 3516/4885
US-20160074541-A1 Prosthetic Compounds for Labeling Internalizing Biomolecules CD47, CD2, CD22 P2RX7 2431/4885AVPR2 4317/4885F10 2466/4885

“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.