SCHEMBL14487530

SCHEMBL14487530

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
ICMT O60725 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MTNR1A P48039 3/20 0.47
TSHR P16473 2/20 0.47
SNCA P37840 2/20 0.46
MTNR1B P49286 2/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CDK2 P24941 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL14487672 0.90 MEN1 (0.50) TRPV1ICMTMTNR1AMTNR1BPKM
SCHEMBL23502050 0.87 KMT2A (0.54) TRPV1ICMTKDM4EMTNR1ATSHR
SCHEMBL6287980 0.83 TSHR (0.67) TRPV1ICMTKDM4ETSHRSNCA
SCHEMBL3229556 0.82 TSHR (0.69) KDM4EMTNR1ATSHRMTNR1B
SCHEMBL21255987 0.81 MTNR1A (0.59) ICMTKDM4EMTNR1ATSHRMTNR1B
SCHEMBL853729 0.81 NPSR1 (0.68) KDM4ETSHRALDH1A1LMNAGLA
SCHEMBL2056337 0.80 HTR1D (0.51) TRPV1ICMTSNCAPKMLMNA
SCHEMBL2686551 0.80 KDM4E (0.77) KDM4EMTNR1ATSHRMTNR1BALDH1A1
SCHEMBL20769666 0.80 MTNR1A (0.60) KDM4EMTNR1ATSHRSNCAMTNR1B
SCHEMBL29444458 0.80 MTNR1A (0.60) KDM4EMTNR1ATSHRMTNR1BPKM

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 17 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-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-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
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
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 (6 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 TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TRPV1 3430/4885ICMT 141/4885KDM4E 1590/4885

“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.