SCHEMBL13622206

SCHEMBL13622206

COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](N)CC2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 12/20 0.83
TUBB P07437 12/20 0.83
TUBA3C P0DPH7 12/20 0.83
TUBA1B P68363 12/20 0.83
TUBA4A P68366 12/20 0.83
TUBB4B P68371 12/20 0.83
TUBB3 Q13509 12/20 0.83
TUBB2A Q13885 12/20 0.83
TUBB8 Q3ZCM7 12/20 0.83
TUBA3E Q6PEY2 12/20 0.83
TUBA1A Q71U36 12/20 0.83
TUBA1C Q9BQE3 12/20 0.83
TUBB6 Q9BUF5 12/20 0.83
TUBB2B Q9BVA1 12/20 0.83
TUBB1 Q9H4B7 12/20 0.83
NR0B1 P51843 1/20 0.83
KDM4E B2RXH2 1/20 0.67
USP2 O75604 1/20 0.67
CYP3A4 P08684 1/20 0.67
HIF1A Q16665 1/20 0.67

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
SCHEMBL13622205 0.92 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401455 0.91 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30418517 0.91 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5434553 0.91 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12091250 0.88 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21048471 0.88 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12091261 0.85 TUBB4A (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401770 0.84 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1401409 0.84 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12091269 0.84 TUBB4A (0.83) 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
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 TUBB4A 45/4885TUBB 35/4885TUBA3C 63/4885

“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.