SCHEMBL3578640

SCHEMBL3578640

CCOC(=O)c1[nH]c(C=O)c(S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL3585184 0.85 CYP1A2 (0.50) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3584348 0.83 TUBB4A (0.60) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4551261 0.79 TUBB4A (0.55) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL27942077 0.72 ALDH1A1 (0.76) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4551260 0.72 TUBB4A (0.47) KMT2AALDH1A1POLBTUBB4ATUBB
SCHEMBL3586569 0.71 ALDH1A1 (0.54) KMT2AALDH1A1POLBALOX15CYP1A2
SCHEMBL5621143 0.70 ALDH1A1 (1.00) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL12529449 0.69 ALDH1A1 (0.69) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4199341 0.69 ALDH1A1 (0.65) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4405033 0.68 TUBB4A (0.47) ALDH1A1ALOX15CYP1A2CYP2C19TUBB4A

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 1816/4885ALDH1A1 2016/4885POLB 30/4885

“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.