Sugi Predict

Sugi Predict / Compounds / SCHEMBL6040919

SCHEMBL6040919

SCHEMBL6040919

C=C(C(=O)c1ccc(C(=O)NC(=O)C(C)C)cc1)c1cc(-c2cc3ccccc3s2)c(OC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 10/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.39
▸ AVPR1A P37288 1/20 0.38
▸ ACLY P53396 2/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 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
SCHEMBL6040901 0.90 TNFRSF1A (0.50) TNFRSF1AHDAC6AVPR1AACLYTUBB4A
SCHEMBL6040541 0.87 TNFRSF1A (0.46) TNFRSF1AHDAC6AVPR1AACLY
SCHEMBL6040514 0.86 TNFRSF1A (0.53) TNFRSF1AHDAC6AVPR1AACLYTUBB4A
SCHEMBL4727938 0.85 TNFRSF1A (0.54) TNFRSF1AHDAC6AVPR1AACLYTUBB4A
SCHEMBL6040590 0.84 TNFRSF1A (0.56) TNFRSF1AHDAC6AVPR1AACLYTUBB4A
SCHEMBL6040908 0.82 TNFRSF1A (0.47) TNFRSF1AHDAC6AVPR1AACLYHDAC2
SCHEMBL6040776 0.81 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLYKDM4EHTT
SCHEMBL6040555 0.81 TNFRSF1A (0.50) TNFRSF1AAVPR1AACLY
SCHEMBL6040921 0.80 TNFRSF1A (0.71) TNFRSF1A
SCHEMBL6040923 0.80 TNFRSF1A (0.71) TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 — — US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 — — US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 — — EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 — — EP disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 — — US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 — — 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TNFRSF1A 3846/4885HDAC6 475/4885AVPR1A 2172/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885HDAC6 518/4885AVPR1A 1442/4885

“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.