SCHEMBL17686299

SCHEMBL17686299

CCOC(=O)CCc1c(C(=O)O)cc2c3c1ccn3CCCS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 6/20 0.39
MCL1 Q07820 6/20 0.39
BCL2L1 Q07817 2/20 0.35
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL17686283 0.90 BCL2 (0.35) BCL2MCL1BCL2L1HPGDKDM4E
SCHEMBL17686286 0.79 MCL1 (0.63) BCL2MCL1BCL2L1
SCHEMBL17686298 0.73 MCL1 (0.64) BCL2MCL1BCL2L1
SCHEMBL17686328 0.69 MCL1 (0.62) BCL2MCL1BCL2L1
SCHEMBL17686282 0.68 MCL1 (0.52) BCL2MCL1BCL2L1CYP4F2CYP4A11
SCHEMBL17686333 0.67 BCL2 (0.33) BCL2MCL1BCL2L1KDM4E
SCHEMBL17686324 0.63 MCL1 (0.51) BCL2MCL1BCL2L1CYP4F2CYP4A11
SCHEMBL17686350 0.61 MCL1 (0.62) BCL2MCL1BCL2L1HPGDKDM4E
SCHEMBL17686341 0.60 MCL1 (0.64) BCL2MCL1BCL2L1KDM4EALDH1A1
SCHEMBL16218017 0.59 CYP4F2 (0.56) HPGDKDM4EALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949965-B2 Tricyclic indole Mcl-1 inhibitors and uses thereof VANDERBILT UNIVERSITY (US) 2018-04-24 US disclosed
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 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-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL3 BCL2 4/4885MCL1 1/4885BCL2L1 2/4885

“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.