SCHEMBL3586775

SCHEMBL3586775

CCOC(=O)c1[nH]c(C(=O)O)c(S(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.64
TUBB P07437 1/20 0.64
TUBA3C P0DPH7 1/20 0.64
TUBA1B P68363 1/20 0.64
TUBA4A P68366 1/20 0.64
TUBB4B P68371 1/20 0.64
TUBB3 Q13509 1/20 0.64
TUBB2A Q13885 1/20 0.64
TUBB8 Q3ZCM7 1/20 0.64
TUBA3E Q6PEY2 1/20 0.64
TUBA1A Q71U36 1/20 0.64
TUBA1C Q9BQE3 1/20 0.64
TUBB6 Q9BUF5 1/20 0.64
TUBB2B Q9BVA1 1/20 0.64
TUBB1 Q9H4B7 1/20 0.64
RAB9A P51151 7/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL4551261 0.91 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3578518 0.90 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3575872 0.88 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3584348 0.84 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5503343 0.78 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3579591 0.78 MEN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28527628 0.77 ALDH1A1 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3582398 0.76 KMT2A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3586118 0.75 ALDH1A1 (0.46) KMT2AALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL3588951 0.74 GAA (0.51) 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
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E TUBB4A 2488/4885TUBB 2150/4885TUBA3C 2393/4885

“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.