SCHEMBL2945338

SCHEMBL2945338

CCOC(=O)c1ccc(N2CCc3cc(OC)ccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ MAPT P10636 8/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 2/20 0.44

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
SCHEMBL14158144 0.88 ESR1 (0.54) ESR1ESR2ALDH1A1CA1CA2
SCHEMBL19284532 0.88 MAPT (0.51) ESR1ESR2MAPTALDH1A1MAPK1
SCHEMBL2948505 0.84 AKR1C3 (0.56) ESR1ESR2CA1CA2CA7
SCHEMBL5525452 0.81 DRD1 (0.57) ESR1ESR2DRD1DRD5
SCHEMBL16827433 0.76 MAOB (0.70) ESR1ESR2MAPTALDH1A1CA1
SCHEMBL10673137 0.76 DRD1 (0.52) ESR1ESR2CA1CA2CA9
SCHEMBL9829081 0.76 ALDH1A1 (0.55) ESR1ESR2ALDH1A1MAPK1CA1
SCHEMBL29500325 0.76 MAOB (0.70) ESR1ESR2MAPTALDH1A1CA1
SCHEMBL28457628 0.76 DRD1 (0.62) ESR1ESR2MAPTLMNADRD1
SCHEMBL16827420 0.75 DRD1 (0.48) ESR1ESR2MAPTALDH1A1CA1

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 ESR1 3814/4885ESR2 2705/4885MAPT 4851/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ESR1 3992/4885ESR2 2515/4885MAPT 4830/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ESR1 3814/4885ESR2 2705/4885MAPT 4851/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ESR1 3782/4885ESR2 2091/4885MAPT 4806/4885

“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.

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