Sugi Predict

Sugi Predict / Compounds / SCHEMBL9938748

SCHEMBL9938748

SCHEMBL9938748

O=C(O)c1ccc(F)cc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ NOTUM Q6P988 2/20 0.41
▸ DCLRE1B Q9H816 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TTR P02766 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CLCN2 P51788 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALB P02768 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
SCHEMBL9937799 0.84 KEAP1 (0.55) KEAP1CES2CES1NOTUMDCLRE1B
SCHEMBL29956344 0.79 GAA (0.46) CES2CES1KDM4EALDH1A1HPGD
SCHEMBL1743546 0.79 SLC6A4 (0.46) CES2CES1KDM4EALDH1A1HPGD
Boric Acid SCHEMBL29160824 0.79 KEAP1 (0.59) KEAP1CES2CES1NOTUMDCLRE1B
SCHEMBL28674119 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10TTRCA1
SCHEMBL2065197 0.78 CSNK2A1 (0.53) NOTUMALDH1A1CLCN2MEN1CA1
SCHEMBL336978 0.76 KEAP1 (0.65) KEAP1CES2CES1NOTUMDCLRE1B
SCHEMBL30520290 0.76 KEAP1 (0.65) KEAP1CES2CES1NOTUMDCLRE1B
SCHEMBL9939276 0.76 SMN1; SMN2 (0.59) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23353977 0.76 ALDH1A1 (0.59) CES2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-11-19 — — US disclosed
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
CN-113620948-B Cap-dependent endonuclease inhibitors 太景医药研发(北京)有限公司 2022-11-25 — — CN disclosed
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-11-18 — — US disclosed
CN-113620948-A Cap-dependent endonuclease inhibitors 太景医药研发(北京)有限公司 2021-11-09 — — CN disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 — — US disclosed
CN-112996518-A WD40 repeat domain protein 5(WDR5) degradation/disruption compounds and methods of use 西奈山伊坎医学院 2021-06-18 — — CN disclosed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 — — CN disclosed
WO-2020023356-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 — — WO disclosed
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 — — WO disclosed
CN-105517999-A Ido inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 — — CN disclosed
CN-105473550-A Ido inhibitors BRISTOL MYERS SQUIBB CO 2016-04-06 — — CN disclosed
US-9162999-B2 Catalytic conversion of cellulose to fuels and chemicals using boronic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-10-20 — — US disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 — — WO disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 — — WO disclosed
WO-2015006520-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 — — WO disclosed
WO-2015002918-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 — — WO disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 — — EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 — — US disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 — — 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 (5 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 KEAP1 1892/4885CES2 4843/4885CES1 4424/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KEAP1 740/4885CES2 1087/4885CES1 807/4885
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT KEAP1 740/4885CES2 1087/4885CES1 807/4885
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT KEAP1 850/4885CES2 1371/4885CES1 876/4885
US-20210355113-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KEAP1 850/4885CES2 1371/4885CES1 876/4885

“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.