Sugi Predict

Sugi Predict / Compounds / SCHEMBL22017083

SCHEMBL22017083

SCHEMBL22017083

CCOCc1cc(OC)c(CC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.45
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CA2 P00918 1/20 0.36
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ CALM1 P0DP23 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33

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
SCHEMBL31432799 0.82 PTGS2 (0.63) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL22016200 0.82 PTGS2 (0.42) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL1023208 0.80 PTGS2 (0.41) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL27930397 0.79 PTGS2 (0.52) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL25460925 0.78 HTR2A (0.61) PTGS2HTR2AHTR2CHTR2BCALM1
SCHEMBL24312084 0.77 PTGS2 (0.38) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL22031950 0.77 PTGS2 (0.38) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL19145278 0.76 CA2 (0.61) CA2CALM1ALDH1A1L3MBTL1
SCHEMBL1021545 0.76 PTGS2 (0.37) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL25460932 0.76 HTR2A (0.57) PTGS2HTR2AHTR2CHTR2BCALM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 — — US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 — — US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 — — 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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PTGS2 2563/4885HTR2A 4619/4885HTR2C 4303/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PTGS2 2563/4885HTR2A 4619/4885HTR2C 4303/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B PTGS2 2756/4885HTR2A 3546/4885HTR2C 2556/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR PTGS2 229/4885HTR2A 3478/4885HTR2C 3175/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR PTGS2 229/4885HTR2A 3478/4885HTR2C 3175/4885

“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.