SCHEMBL2358284

SCHEMBL2358284

CC1(C)CC(O)CC(C)(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CA1 P00915 14/20 0.50
CA2 P00918 14/20 0.50
CA9 Q16790 10/20 0.50
CA12 O43570 9/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL2359181 0.90 KMT2A (0.43) KMT2ACA1CA2CA9CA12
SCHEMBL2359845 0.81 MEN1 (0.47) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL2359771 0.80 LMNA (0.44) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL2359355 0.79 FADS1 (0.43) KMT2ACA2ALDH1A1LMNA
SCHEMBL2361067 0.79 LMNA (0.47) KMT2AALDH1A1LMNAPOLB
SCHEMBL2360576 0.78 LMNA (0.61) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL12350716 0.77 HSD11B1 (0.47) KMT2ACA1CA2CA9CA12
SCHEMBL2360399 0.76 HTT (0.47) KMT2AALDH1A1LMNAALOX12MAPT
SCHEMBL4296805 0.76 CA1 (0.52) CA1CA2CA9CA12ALDH1A1
SCHEMBL2361047 0.76 EPHX2 (0.52) ALDH1A1LMNAMAPTPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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 (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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 KMT2A 2790/4885CA1 931/4885CA2 345/4885

“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.