SCHEMBL6783409

SCHEMBL6783409

CCc1n[nH]c(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)c1CC

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL19235492 0.73 GAA (0.51) —
SCHEMBL6783572 0.72 P2RX7 (0.52) —
SCHEMBL6783793 0.70 BRD4 (0.53) —
SCHEMBL6783181 0.69 — —
SCHEMBL6784302 0.69 LMNA (0.48) —
SCHEMBL1503985 0.69 NPC1 (0.49) —
SCHEMBL3036107 0.69 MAPT (0.64) —
SCHEMBL30890031 0.69 MAPT (0.64) —
SCHEMBL210244 0.68 GPR35 (0.53) —
SCHEMBL19236011 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 — — US disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 — — US disclosed
WO-2010053583-A2 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA FARBER CANCER INSTITUTE (US) 2010-05-14 — — 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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC PTGDR2 2387/4885TSHR 188/4885

“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.

Send feedback