SCHEMBL5798445

SCHEMBL5798445

COC(=O)c1[nH]c2ccccc2c1Sc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 1.00
TUBB P07437 11/20 1.00
TUBA3C P0DPH7 11/20 1.00
TUBA1B P68363 11/20 1.00
TUBA4A P68366 11/20 1.00
TUBB4B P68371 11/20 1.00
TUBB3 Q13509 11/20 1.00
TUBB2A Q13885 11/20 1.00
TUBB8 Q3ZCM7 11/20 1.00
TUBA3E Q6PEY2 11/20 1.00
TUBA1A Q71U36 11/20 1.00
TUBA1C Q9BQE3 11/20 1.00
TUBB6 Q9BUF5 11/20 1.00
TUBB2B Q9BVA1 11/20 1.00
TUBB1 Q9H4B7 11/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PABPC1 P11940 1/20 0.52

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
SCHEMBL6632777 0.87 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28061064 0.86 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808232 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5812186 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5806250 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938425 0.84 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5798380 0.83 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938463 0.83 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2348003 0.83 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5116473 0.81 PTGS2 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 WO disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 TUBB4A 182/4885TUBB 346/4885TUBA3C 675/4885

“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.