SCHEMBL6287980

SCHEMBL6287980

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
HPGD P15428 4/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
GLA P06280 1/20 0.64
CYP2C9 P11712 1/20 0.64
NFKB1 P19838 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 2/20 0.58
ICMT O60725 1/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX12 P18054 1/20 0.48
CDK2 P24941 1/20 0.47
SNCA P37840 2/20 0.47
NR4A1 P22736 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2386812 0.88 ALDH1A1 (0.58) TSHRHPGDALDH1A1LMNAGLA
SCHEMBL8693061 0.86 HPGD (0.64) TSHRHPGDLMNAICMTMEN1
SCHEMBL13245097 0.85 TSHR (0.64) TSHRHPGDALDH1A1LMNAGLA
SCHEMBL14487530 0.83 TRPV1 (0.54) TSHRHPGDALDH1A1LMNAGLA
SCHEMBL2056337 0.81 HTR1D (0.51) LMNAICMTMEN1KMT2ASNCA
SCHEMBL2260803 0.80 TSHR (1.00) TSHRHPGDALDH1A1LMNAGLA
SCHEMBL31369743 0.80 KMT2A (0.68) TSHRALDH1A1LMNACYP2C9NFKB1
SCHEMBL6510001 0.79 KDM4E (0.69) TSHRHPGDALDH1A1LMNAGLA
SCHEMBL8007177 0.79 MPO (0.69) TSHRHPGDLMNAICMTMEN1
Hydrochloric Acid SCHEMBL1372337 0.79 TSHR (0.97) TSHRHPGDALDH1A1LMNAGLA

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 31 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-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-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
WO-2014110298-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 WO 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
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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 TSHR 4824/4885HPGD 1093/4885ALDH1A1 649/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TSHR 4824/4885HPGD 1093/4885ALDH1A1 649/4885
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK TSHR 435/4885HPGD 888/4885ALDH1A1 2042/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TSHR 4824/4885HPGD 1093/4885ALDH1A1 649/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD TSHR 4662/4885HPGD 816/4885ALDH1A1 372/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TSHR 4824/4885HPGD 1093/4885ALDH1A1 649/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TSHR 4824/4885HPGD 1093/4885ALDH1A1 649/4885

“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.