SCHEMBL21790141

SCHEMBL21790141

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)CCC(=O)O)O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.75
▸ LMNA P02545 5/20 0.75
▸ NR3C1 P04150 4/20 0.75
▸ PGR P06401 4/20 0.75
▸ CYP3A4 P08684 4/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ MAPT P10636 3/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ CNR1 P21554 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.62
▸ AR P10275 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TNF P01375 2/20 0.61
▸ IKBKB O14920 1/20 0.61
▸ JAK2 O60674 1/20 0.61
▸ ROCK2 O75116 1/20 0.61
▸ PRKCA P17252 1/20 0.61

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
SCHEMBL1535419 1.00 HIF1A (0.75) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL23760030 0.96 HIF1A (0.73) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL23207755 0.93 HIF1A (0.75) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL14501128 0.92 HIF1A (0.74) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL12087295 0.92 HIF1A (0.84) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL5148577 0.91 HIF1A (0.72) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL11334051 0.91 HIF1A (0.72) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL11339300 0.91 HIF1A (0.72) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL5147408 0.91 HIF1A (0.72) HIF1ALMNANR3C1PGRCYP3A4
SCHEMBL11330830 0.91 HIF1A (0.72) HIF1ALMNANR3C1PGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 — — US disclosed
US-20230390270-A1 METHODS FOR TREATING REMITTING MULTIPLE SCLEROSIS BIOGEN MA INC. 2023-12-07 — — US disclosed
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 — — EP disclosed
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
EP-4199927-A1 METHODS FOR TREATING REMITTING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2023-06-28 — — EP disclosed
CN-111183142-B Boric acid derivatives 默克专利股份公司 2023-06-16 — — CN disclosed
CN-116096421-A Methods for treating remission-type multiple sclerosis 渤健马萨诸塞州股份有限公司 2023-05-09 — — CN disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 — — EP disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 — — US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 — — US disclosed
WO-2022040369-A1 METHODS FOR TREATING REMITTING MULTIPLE SCLEROSIS BIOGEN MA INC. (US) 2022-02-24 — — WO disclosed
US-20210300874-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2021-09-30 — — US disclosed
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2020-03-05 — — US disclosed
WO-2020047496-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2020-03-05 — — 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 (8 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-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 HIF1A 879/4885LMNA 2820/4885NR3C1 2843/4885
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 HIF1A 3238/4885LMNA 1670/4885NR3C1 173/4885
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 HIF1A 3238/4885LMNA 1670/4885NR3C1 173/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 HIF1A 906/4885LMNA 2826/4885NR3C1 2848/4885
US-20230390270-A1 METHODS FOR TREATING REMITTING MULTIPLE SCLEROSIS SGMS1, SGMS2, HMGCR HIF1A 4216/4885LMNA 3952/4885NR3C1 490/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 HIF1A 3238/4885LMNA 1670/4885NR3C1 173/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 HIF1A 879/4885LMNA 2820/4885NR3C1 2843/4885
US-20210300874-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 HIF1A 3238/4885LMNA 1670/4885NR3C1 173/4885

“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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