Sugi Predict

Sugi Predict / Compounds / SCHEMBL6460362

SCHEMBL6460362

SCHEMBL6460362

Cc1ccc([C@@H]2CCOC2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.41
▸ PRKAB2 O43741 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAG3 Q9UGI9 2/20 0.39
▸ PRKAG2 Q9UGJ0 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ FASN P49327 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
SCHEMBL20092461 0.74 TYK2 (0.43) TYK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1714160 0.74 TSHR (0.35) CNR1CNR2POLB
SCHEMBL4321244 0.74 ALDH1A1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2486113 0.74 TSHR (0.35) CNR1CNR2POLB
SCHEMBL1714508 0.74 TSHR (0.35) CNR1CNR2POLB
SCHEMBL4314577 0.74 ALDH1A1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1613058 0.74 ALDH1A1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29866664 0.71 HTR6 (0.38) TYK2PRMT5WDR77CNR2HTR6
SCHEMBL31525738 0.71 CA2 (0.47) PRMT5WDR77HTR6
SCHEMBL20150214 0.71 TYK2 (0.43) TYK2PRMT5WDR77POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 — — WO disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 — — US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 — — US disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 — — WO disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 — — EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 — — 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 (2 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN TYK2 641/4885PRKAB2 414/4885PRKAG1 447/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI TYK2 9/4885PRKAB2 1111/4885PRKAG1 926/4885

“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.