SCHEMBL14487538

SCHEMBL14487538

COC(=O)Cc1c[nH]c2ccc(NC(=O)OC(C)(C)C)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
MTNR1B P49286 3/20 0.55
CYP1A2 P05177 1/20 0.55
NQO2 P16083 1/20 0.55
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.43
ANO1 Q5XXA6 1/20 0.42
CTSL P07711 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TACR1 P25103 2/20 0.41
PKM P14618 1/20 0.41
SPR P35270 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 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
SCHEMBL6017270 0.90 PKM (0.55) MTNR1AMTNR1BCYP1A2NQO2KDM4E
SCHEMBL14487629 0.89 KDM4E (0.55) MTNR1AMTNR1BCYP1A2NQO2KDM4E
SCHEMBL20371743 0.89 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2NQO2KDM4E
SCHEMBL14555872 0.88 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2NQO2KDM4E
SCHEMBL18852635 0.84 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2NQO2KDM4E
SCHEMBL30937486 0.83 CYP1A2 (0.51) MTNR1AMTNR1BCYP1A2NQO2ANO1
SCHEMBL14487296 0.82 KMT2A (0.49) MTNR1AMTNR1BKDM4EALDH1A1CTSL
SCHEMBL14555333 0.80 CA12 (0.52) MTNR1AMTNR1BCYP1A2NQO2ALDH1A1
SCHEMBL14487807 0.78 CYP1A2 (0.45) MTNR1AMTNR1BCYP1A2NQO2CA12
SCHEMBL14487812 0.77 SPR (0.64) MTNR1AMTNR1BCYP1A2NQO2KDM4E

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 26 patents — showing the first 20. 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-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-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-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-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 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-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 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
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
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US 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
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 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 (5 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 MTNR1A 4595/4885MTNR1B 4364/4885CYP1A2 489/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CYP1A2 489/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CYP1A2 489/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CYP1A2 489/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MTNR1A 4595/4885MTNR1B 4364/4885CYP1A2 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.