SCHEMBL17147398

SCHEMBL17147398

CC(C)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 7/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 3/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 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
SCHEMBL17149209 0.83 MAPT (0.73) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL2627852 0.82 ALDH1A1 (0.67) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL11977001 0.81 MEN1 (0.52) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL13542567 0.80 PKM (0.67) MAPTALDH1A1POLBKDM4ELMNA
SCHEMBL14923965 0.80 KDM4E (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL25839463 0.79 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL20251137 0.78 MAPT (0.51) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14923988 0.77 KMT2A (0.72) MAPTALDH1A1POLBKDM4ELMNA
SCHEMBL20883571 0.77 ALDH1A1 (0.45) MAPTALDH1A1POLBKDM4ELMNA
SCHEMBL12015807 0.76 POLB (0.67) MAPTALDH1A1POLBKDM4ELMNA

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-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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 (2 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 MAPT 2998/4885ALDH1A1 1518/4885POLB 2777/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 MAPT 2878/4885ALDH1A1 611/4885POLB 2842/4885

“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.