SCHEMBL17730048

SCHEMBL17730048

CCOC(=O)C(CC)C1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31

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
SCHEMBL17730047 1.00 SHBG (0.48) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL29525633 1.00 SHBG (0.48) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL27350614 0.85 L3MBTL1 (0.40) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL13573000 0.85 CYP2D6 (0.46) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL31547066 0.85 CYP2D6 (0.46) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL4087213 0.83 ALDH1A1 (0.48) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL27351255 0.81 ALDH1A1 (0.47) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL17729118 0.80 CPN1 (0.47) L3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL1188235 0.79 SHBG (0.45) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL1188237 0.79 SHBG (0.45) SHBGL3MBTL1CYP2D6ALDH1A1NPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 US disclosed
EP-3854394-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2021-07-28 EP disclosed
CN-107427499-B Immunomodulator 弗莱塞斯生物科学公司 2021-04-16 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
EP-3215153-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2020-12-23 EP disclosed
US-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20190002472-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2019-01-03 US disclosed
US-10106546-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2018-10-23 US disclosed
US-20180282281-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-10-04 US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170197973-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-07-13 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9643972-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-05-09 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137652-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 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 (12 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-10106546-B2 Immunoregulatory agents IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-20180282281-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-20160137652-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT SHBG 2614/4885L3MBTL1 3862/4885CYP2D6 699/4885
US-20190002472-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT SHBG 2614/4885L3MBTL1 3862/4885CYP2D6 699/4885
US-20170197973-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SHBG 769/4885L3MBTL1 3766/4885CYP2D6 836/4885
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT SHBG 2614/4885L3MBTL1 3862/4885CYP2D6 699/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT SHBG 2614/4885L3MBTL1 3862/4885CYP2D6 699/4885

“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.