SCHEMBL13066493

SCHEMBL13066493

Cc1nn(CC(=O)O)c(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 0.67
APAF1 O14727 2/20 0.58
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
PKM P14618 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4744968 0.82 ALDH1A1 (0.69) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL3585241 0.80 ALDH1A1 (0.67) ALDH1A1GAAAPAF1LMNA
SCHEMBL111808 0.80 ALDH1A1 (0.67) ALDH1A1GAALMNAPTGDR2P2RX7
SCHEMBL13682946 0.80 ALDH1A1 (0.67) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL3581633 0.80 ALDH1A1 (0.67) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL13184057 0.79 ALDH1A1 (0.65) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL17382015 0.79 ALDH1A1 (0.65) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL29953641 0.79 ALDH1A1 (0.65) ALDH1A1GAAAPAF1MAPTLMNA
SCHEMBL17382011 0.79 ALDH1A1 (0.65) ALDH1A1GAAAPAF1MAPTPKM
SCHEMBL19007302 0.79 ALDH1A1 (0.65) ALDH1A1GAAAPAF1LMNAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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 (8 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885GAA 3420/4885APAF1 45/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885GAA 4009/4885APAF1 42/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885GAA 148/4885APAF1 3361/4885

“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.