Sugi Predict

Sugi Predict / Compounds / SCHEMBL71418

SCHEMBL71418

SCHEMBL71418

CC(C)c1cccc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.44
▸ ICAM1 P05362 1/20 0.44
▸ ITGAL P20701 1/20 0.44
▸ MTNR1A P48039 6/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 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
SCHEMBL12180456 0.92 GABRA1 (0.38) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL6748374 0.85 ITGB2 (0.41) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL13425684 0.85 MTNR1A (0.43) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL22065074 0.85 ITGB2 (0.41) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL2401926 0.85 ITGB2 (0.41) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL28987862 0.85 ITGB2 (0.41) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL71419 0.84 ALDH1A1 (0.48) LMNAFAAHCA1CA2CYP1A2
Hydrochloric Acid SCHEMBL3695794 0.83 LMNA (0.42) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL23101922 0.82 TSHR (0.43) ITGB2ICAM1ITGALMTNR1AADRB1
SCHEMBL4547389 0.82 MTNR1A (0.41) ITGB2ICAM1ITGALMTNR1AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059249-A1 M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-03-21 — — WO disclosed
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 — — WO disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
US-11845715-B2 — — 2023-12-19 — — US disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 — — WO disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 — — EP disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 — — WO disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 — — EP disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 — — US disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 — — EP disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 — — WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070066666-A1 Thiazole compounds SMITHKLINE BEECHAM CORPORATION 2007-03-22 — — US disclosed
US-20070066666-A1 Thiazole compounds SMITHKLINE BEECHAM CORPORATION 2007-03-22 — — 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 (8 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ITGB2 4034/4885ICAM1 4479/4885ITGAL 4221/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR ITGB2 4300/4885ICAM1 4747/4885ITGAL 4377/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ITGB2 4034/4885ICAM1 4479/4885ITGAL 4221/4885
US-11845715-B2 — NLRP3, PYCARD, NOD1 ITGB2 4782/4885ICAM1 996/4885ITGAL 4643/4885
US-20070066666-A1 Thiazole compounds CYP3A5, CYP2C19, CYP3A7 ITGB2 2167/4885ICAM1 4528/4885ITGAL 2000/4885
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB2 9/4885ICAM1 42/4885ITGAL 4/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ITGB2 1459/4885ICAM1 3379/4885ITGAL 2409/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A ITGB2 4498/4885ICAM1 3437/4885ITGAL 3552/4885

“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.