SCHEMBL15723698

SCHEMBL15723698

CC(C)c1cc(C(F)(F)F)n(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAP3K12 Q12852 3/20 0.37
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ESR1 P03372 2/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL23546913 0.82 MAP3K12 (0.32) MAP3K12ALDH1A1GAAKDM4E
SCHEMBL14015687 0.80 ALDH1A1 (0.37) CYP3A4CYP2C19MAP3K12MAPTMEN1
SCHEMBL18853941 0.80 KDM4E (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL1120080 0.79 KDM4E (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL21503677 0.78 MAP3K12 (0.42) MAP3K12LMNAALDH1A1GAAESR1
SCHEMBL15503205 0.78 PKM (0.42) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL15723703 0.77 MAP3K12 (0.38) MAP3K12LMNAKDM4E
SCHEMBL18007558 0.77 GABRP (0.38) MAP3K12MAPTRAB9AALDH1A1HPGD
SCHEMBL15723827 0.77 MAP3K12 (0.38) MAP3K12HTR2AHTR2CHTR2B
SCHEMBL21583702 0.76 MAP3K12 (0.35) MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 2023-12-19 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 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-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-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 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-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (9 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 CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 CYP3A4 2610/4885CYP2D6 4325/4885TSHR 4210/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP CYP3A4 2879/4885CYP2D6 4526/4885TSHR 3880/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP CYP3A4 2879/4885CYP2D6 4526/4885TSHR 3880/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP3A4 247/4885CYP2D6 978/4885TSHR 4824/4885

“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.