Sugi Predict

Sugi Predict / Compounds / SCHEMBL5216265

SCHEMBL5216265

SCHEMBL5216265

CC(C(=O)OC(C)(C)C)c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ PTGS2 P35354 6/20 0.40
▸ PTGS1 P23219 4/20 0.40
▸ CXCR1 P25024 3/20 0.40
▸ CXCR2 P25025 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40

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
SCHEMBL1820503 0.85 LMNA (0.42) APPLMNACYP2C9ESR1NFKB1
SCHEMBL16811749 0.85 APP (0.46) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL3694372 0.84 CYP3A4 (0.38) APPCXCR1CXCR2LMNACYP2C9
SCHEMBL10399805 0.83 PTGS2 (0.58) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL9077712 0.83 APP (0.44) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL1245785 0.82 APP (0.36) APPPTGS2PTGS1LMNACYP2C9
SCHEMBL5216236 0.82 APP (0.44) APPPTGS2PTGS1
SCHEMBL479997 0.81 CXCR1 (0.47) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9792793 0.81 APP (0.46) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL9792900 0.81 PTGS2 (0.44) APPPTGS2PTGS1CXCR1CXCR2

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-109574988-B Compound and application thereof 成都海博锐药业有限公司 2022-01-25 — — CN disclosed
CN-109575022-B Compound and application thereof 成都海博锐药业有限公司 2021-09-21 — — CN 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-3215153-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2020-12-23 — — EP disclosed
CN-109574988-A A kind of compound and application thereof 成都海博锐药业有限公司 2019-04-05 — — CN disclosed
CN-109575022-A A kind of compound and application thereof 成都海博锐药业有限公司 2019-04-05 — — CN 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-3215153-A1 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-9643972-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-05-09 — — US disclosed
US-20160137652-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 — — US disclosed
WO-2016073770-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 — — WO disclosed
EP-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 — — EP disclosed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 — — US disclosed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 — — US disclosed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 — — EP disclosed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 — — 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 (6 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-10106546-B2 Immunoregulatory agents IDO1, IDO2, INMT APP 4269/4885PTGS2 113/4885PTGS1 99/4885
US-20180282281-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT APP 4269/4885PTGS2 113/4885PTGS1 99/4885
US-20160137652-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT APP 4269/4885PTGS2 113/4885PTGS1 99/4885
US-20190002472-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT APP 4269/4885PTGS2 113/4885PTGS1 99/4885
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation MMP8, CXCL8, HCAR2 APP 2281/4885PTGS2 292/4885PTGS1 370/4885
US-20170197973-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT APP 4269/4885PTGS2 113/4885PTGS1 99/4885

“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.