SCHEMBL602055

SCHEMBL602055

CCOC(=O)c1ccc(C2CCC(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
FDFT1 P37268 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10188594 1.00 RAB9A (0.50) RAB9AHTTCA12CA1CA2
SCHEMBL25030095 0.90 KDM4E (0.46) RAB9AHTTALDH1A1HSP90AA1MAPK1
SCHEMBL4003420 0.85 CA12 (0.59) RAB9AHTTCA12CA1CA2
SCHEMBL601429 0.83 ALDH1A1 (0.42) RAB9AHTTCA12CA1CA2
SCHEMBL10188562 0.83 ALDH1A1 (0.42) RAB9AHTTCA12CA1CA2
SCHEMBL601321 0.82 CYP2C9 (0.46) RAB9ACA12CA1CA2ESR1
SCHEMBL10188595 0.82 NPC1 (0.42) RAB9AALDH1A1LMNACYP2C9MAPT
SCHEMBL600832 0.82 NPC1 (0.42) RAB9AALDH1A1LMNACYP2C9MAPT
SCHEMBL602156 0.81 CYP2C9 (0.48) RAB9ACA12CA1CA2ESR1
SCHEMBL602155 0.81 CYP2C9 (0.48) RAB9ACA12CA1CA2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927104-B2 Ether compounds and uses thereof BIOTHERYX, INC. (US) 2021-02-23 US disclosed
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. 2020-07-23 US disclosed
EP-3672955-A1 ETHER COMPOUNDS AND USES THEREOF Biotheryx Inc. (US) 2020-07-01 EP disclosed
CN-111247138-A Ether compound and use thereof 拜欧赛里克斯公司 2020-06-05 CN disclosed
WO-2019040274-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. (US) 2019-02-28 WO disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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 (3 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-10927104-B2 Ether compounds and uses thereof EPCAM, ICAM1, SELE RAB9A 1668/4885HTT 1328/4885CA12 4172/4885
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 RAB9A 3120/4885HTT 3855/4885CA12 1924/4885
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF EPCAM, ICAM1, SELE RAB9A 1668/4885HTT 1328/4885CA12 4172/4885

“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.