SCHEMBL1771059

SCHEMBL1771059

O=C(CC(Br)C(=O)O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.60
▸ LMNA P02545 1/20 0.60
▸ SLC1A3 P43003 2/20 0.53
▸ SLC1A2 P43004 2/20 0.53
▸ SLC1A1 P43005 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ MAPT P10636 6/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM1A O60341 1/20 0.47

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
SCHEMBL11601130 0.85 LMNA (0.59) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL29828407 0.81 HPGD (0.65) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL8563381 0.79 HPGD (0.62) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL27638128 0.79 KMT2A (0.51) HPGDLMNATSHRMAPTSMN1; SMN2
SCHEMBL2313979 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL15971325 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL7828171 0.78 HPGD (0.60) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL8984826 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL3021548 0.77 LMNA (0.86) HPGDLMNATSHRMAPTGAA
SCHEMBL6062563 0.77 LMNA (0.59) HPGDLMNASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 — — US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 — — US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 — — US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 — — US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 — — US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 — — US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 — — US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 — — EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 — — 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 (4 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-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR HPGD 283/4885LMNA 2745/4885SLC1A3 4470/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR HPGD 283/4885LMNA 2745/4885SLC1A3 4470/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 HPGD 282/4885LMNA 1047/4885SLC1A3 4179/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR HPGD 283/4885LMNA 2745/4885SLC1A3 4470/4885

“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.

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