Sugi Predict

Sugi Predict / Compounds / SCHEMBL2943344

SCHEMBL2943344

SCHEMBL2943344

COC(=O)c1ccc(-c2ccc3scc(CO)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.46
▸ MTNR1A P48039 7/20 0.43
▸ MTNR1B P49286 4/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SGK1 O00141 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PTGER2 P43116 1/20 0.38

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
SCHEMBL2968704 0.89 CYP2A6 (0.47) MTNR1AMTNR1BCYP2A6CA12CA1
SCHEMBL2951950 0.85 CYP2A6 (0.50) EGFRMTNR1AMTNR1BCYP2A6ERN1
SCHEMBL2943649 0.82 ERN1 (0.46) EGFRCYP2A6ERN1CA12CA1
SCHEMBL17912702 0.81 HDAC6 (0.53) EGFRCA1CA2SGK1CAMKK2
SCHEMBL2943724 0.79 ERN1 (0.59) EGFRCYP2A6ERN1CA12CA1
SCHEMBL19714028 0.77 EGFR (0.43) EGFRCA1CA2SGK1CAMKK2
SCHEMBL19735066 0.77 CYP2A6 (0.62) CYP2A6MAPT
SCHEMBL14524960 0.75 EGFR (0.52) EGFRERN1CA12CA1CA2
SCHEMBL2809056 0.75 EGFR (0.52) EGFRERN1CA12CA1CA2
SCHEMBL12365931 0.72 MAPT (0.52) EGFRPTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 — — US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 — — US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 — — US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 — — EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 — — US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 — — US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 — — US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 — — 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 (4 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3912/4885MTNR1A 2739/4885MTNR1B 2549/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3875/4885MTNR1A 2788/4885MTNR1B 2528/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 EGFR 3912/4885MTNR1A 2739/4885MTNR1B 2549/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR EGFR 3477/4885MTNR1A 3261/4885MTNR1B 2789/4885

“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.