Sugi Predict

Sugi Predict / Compounds / SCHEMBL1401541

SCHEMBL1401541

SCHEMBL1401541

COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccccc1S)CC2

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 13/20 0.76
▸ TUBB P07437 13/20 0.76
▸ TUBA3C P0DPH7 13/20 0.76
▸ TUBA1B P68363 13/20 0.76
▸ TUBA4A P68366 13/20 0.76
▸ TUBB4B P68371 13/20 0.76
▸ TUBB3 Q13509 13/20 0.76
▸ TUBB2A Q13885 13/20 0.76
▸ TUBB8 Q3ZCM7 13/20 0.76
▸ TUBA3E Q6PEY2 13/20 0.76
▸ TUBA1A Q71U36 13/20 0.76
▸ TUBA1C Q9BQE3 13/20 0.76
▸ TUBB6 Q9BUF5 13/20 0.76
▸ TUBB2B Q9BVA1 13/20 0.76
▸ TUBB1 Q9H4B7 13/20 0.76

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
SCHEMBL1401442 0.91 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401557 0.88 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14426359 0.88 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13438472 0.87 TUBB4A (0.93) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13438471 0.87 TUBB4A (0.87) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13622173 0.87 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13622174 0.87 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13438483 0.86 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Thiocolchicine SCHEMBL43160 0.85 TUBB1 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Thiocolchicine SCHEMBL43161 0.85 TUBB1 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 — — EP disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 — — US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 — — US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 — — 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-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C TUBB4A 10/4885TUBB 7/4885TUBA3C 3/4885

“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.