SCHEMBL3582398

SCHEMBL3582398

Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42

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
SCHEMBL3579607 0.88 KMT2A (0.51) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL3579591 0.83 MEN1 (0.43) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL3575872 0.83 TUBB4A (0.65) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL3586775 0.76 TUBB4A (0.64) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23923756 0.74 GPR35 (0.38) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL15417549 0.72 HTR6 (0.62) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3581851 0.72 MEN1 (0.45) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL4471265 0.71 RAB9A (0.51) KMT2AALDH1A1KDM4EHPGDPOLB
SCHEMBL7561760 0.71 TUBB4A (0.67) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL5788230 0.70 TUBB4A (0.58) KMT2AMEN1TUBB4ATUBBTUBA3C

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 KMT2A 1816/4885MEN1 4584/4885TUBB4A 2488/4885

“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.