Sugi Predict

Sugi Predict / Compounds / SCHEMBL18999705

SCHEMBL18999705

SCHEMBL18999705

CC(C)c1cc(NC2CCOCC2)cc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ RORC P51449 1/20 0.36
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PIP5K1C O60331 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL21064114 0.89 CSNK1D (0.38) MAPK1RORCCSNK1DMAPK14OPRK1
SCHEMBL21064116 0.89 MAPK1 (0.43) MAPK1RORCCSNK1DMAPK14NPC1
SCHEMBL21968406 0.86 RORC (0.36) MAPK1RORCMAPK8MAPK9MAPK10
SCHEMBL20252388 0.86 PABPC1 (0.44) MAPK1CSNK1DMAPK14P2RX3P2RX2
SCHEMBL12963661 0.83 PRMT5 (0.40) MAPK1RORCMAPK8MAPK9MAPK10
SCHEMBL13436322 0.82 MAPK1 (0.43) MAPK1RORCMAPK8MAPK9MAPK10
SCHEMBL104969 0.82 NPC1 (0.48) MAPK1RORCNPC1RAB9AALDH1A1
SCHEMBL18999644 0.81 SMN1; SMN2 (0.44) MAPK1NPC1RAB9AALDH1A1MAPT
SCHEMBL10291039 0.76 MAPK1 (0.53) MAPK1PIP5K1CRAB9AALDH1A1L3MBTL1
SCHEMBL18672877 0.74 BACE1 (0.39) MAPK1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 — — US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 — — US disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 — — US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — 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 (4 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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 MAPK1 1709/4885RORC 1781/4885MAPK8 2738/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 MAPK1 1709/4885RORC 1781/4885MAPK8 2738/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 MAPK1 1709/4885RORC 1781/4885MAPK8 2738/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 MAPK1 1709/4885RORC 1781/4885MAPK8 2738/4885

“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.