SCHEMBL17729982

SCHEMBL17729982

Cc1cc(C2CCC(C(C)C(=O)O)CC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.58
▸ LNPEP Q9UIQ6 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ TLR8 Q9NR97 9/20 0.39
▸ TLR7 Q9NYK1 9/20 0.39
▸ BRAF P15056 1/20 0.39
▸ TLR9 Q9NR96 8/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PRCP P42785 1/20 0.37
▸ DGAT1 O75907 1/20 0.37

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
SCHEMBL22730011 1.00 IDO1 (0.58) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL29924183 1.00 IDO1 (0.58) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL21213954 1.00 IDO1 (0.58) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL29923884 1.00 IDO1 (0.58) IDO1LNPEPUSP30TLR8TLR7
Bicarbonate SCHEMBL9280862 0.85 IDO1 (0.54) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL17729954 0.84 IDO1 (0.54) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL30209423 0.84 IDO1 (0.54) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL28335167 0.84 IDO1 (0.45) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL28335166 0.84 IDO1 (0.45) IDO1LNPEPUSP30TLR8TLR7
SCHEMBL19900796 0.82 HDAC4 (0.49) IDO1LNPEPTLR8TLR7BRAF

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
CN-111247119-B Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2023-02-03 — — CN disclosed
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-07-19 — — US disclosed
CN-111630043-B Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2022-02-15 — — CN disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 — — US disclosed
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 — — CN disclosed
EP-3805212-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-04-14 — — EP disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 — — EP disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 — — US disclosed
CN-112334458-A 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2021-02-05 — — CN disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 — — EP disclosed
CN-111247119-A Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2020-06-05 — — CN disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 — — WO disclosed
WO-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 — — WO disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 — — US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 — — US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 — — EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 — — US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 — — 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 (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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885LNPEP 1023/4885USP30 1692/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT IDO1 1/4885LNPEP 1023/4885USP30 1692/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885LNPEP 1023/4885USP30 1692/4885
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT IDO1 1/4885LNPEP 1452/4885USP30 3256/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT IDO1 1/4885LNPEP 1023/4885USP30 1692/4885
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU IDO1 1/4885LNPEP 319/4885USP30 1606/4885
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof IDO1, IDO2, KYNU IDO1 1/4885LNPEP 319/4885USP30 1606/4885

“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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