SCHEMBL6029993

SCHEMBL6029993

COC(=O)C(=O)c1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
KMT2A Q03164 1/20 0.58
NR4A2 P43354 3/20 0.48
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
SRC P12931 1/20 0.47
HSD17B10 Q99714 1/20 0.44
KIF11 P52732 3/20 0.44
CFTR P13569 1/20 0.43
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
CREBBP Q92793 1/20 0.41
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
CDK2 P24941 1/20 0.40

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
Hydrochloric Acid SCHEMBL14487414 0.99 MEN1 (0.56) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL6030740 0.89 MEN1 (0.48) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL9936837 0.86 NR4A2 (0.65) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL1559282 0.86 MEN1 (0.54) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL1557638 0.83 MEN1 (0.68) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL11773319 0.82 MEN1 (0.62) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL6030601 0.82 NR4A2 (0.51) NR4A2MAPTCREBBPTUBB1
SCHEMBL10253551 0.81 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL29644277 0.81 ALDH1A1 (0.83) MEN1ALDH1A1CYP1A2HPGDALOX12
SCHEMBL6029944 0.80 NR4A2 (0.73) ALDH1A1NR4A2IGF1RMETHSD17B10

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-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-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
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
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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 (7 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 MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885
US-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 MEN1 2055/4885ALDH1A1 450/4885CYP1A2 2375/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MEN1 2645/4885ALDH1A1 649/4885CYP1A2 489/4885

“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.