SCHEMBL16010332

SCHEMBL16010332

COc1cc2sccc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.47
TUBB P07437 7/20 0.47
TUBA3C P0DPH7 7/20 0.47
TUBA1B P68363 7/20 0.47
TUBA4A P68366 7/20 0.47
TUBB4B P68371 7/20 0.47
TUBB3 Q13509 7/20 0.47
TUBB2A Q13885 7/20 0.47
TUBB8 Q3ZCM7 7/20 0.47
TUBA3E Q6PEY2 7/20 0.47
TUBA1A Q71U36 7/20 0.47
TUBA1C Q9BQE3 7/20 0.47
TUBB6 Q9BUF5 7/20 0.47
TUBB2B Q9BVA1 7/20 0.47
TUBB1 Q9H4B7 7/20 0.47
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
MAOA P21397 3/20 0.42
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL20026432 0.84 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29636412 0.84 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24175669 0.84 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10372067 0.78 SLC6A2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5689307 0.76 TUBB1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5687768 0.76 TUBB1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5687761 0.76 TUBB1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16016838 0.76 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4306040 0.73 SLC6A2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30665894 0.73 SLC6A2 (0.41) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
EP-2964230-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2016-01-13 EP disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 WO disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 WO disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 TUBB4A 1201/4885TUBB 1008/4885TUBA3C 1524/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 TUBB4A 1201/4885TUBB 1008/4885TUBA3C 1524/4885

“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.