SCHEMBL2951869

SCHEMBL2951869

O=C[C@H](CSc1ccccc1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.51
▸ MTNR1B P49286 4/20 0.51
▸ FFAR1 O14842 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CAPN1 P07384 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL10403425 0.87 MTNR1A (0.65) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL22202893 0.80 CTSK (0.50) MTNR1AMTNR1B
SCHEMBL26648079 0.78 MTNR1A (0.49) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL21179225 0.78 MTNR1A (0.49) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL1743680 0.78 MTNR1A (0.49) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL6987493 0.76 MTNR1A (0.78) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL17865652 0.74 CAPN1 (0.61) CAPN1
SCHEMBL3292711 0.74 CAPN1 (0.61) CAPN1
SCHEMBL2369340 0.74 CAPN1 (0.61) CAPN1
SCHEMBL10403309 0.73 MTNR1A (0.63) MTNR1AMTNR1BFFAR1MAOAMAOB

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 MTNR1A 2739/4885MTNR1B 2549/4885FFAR1 2710/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MTNR1A 2788/4885MTNR1B 2528/4885FFAR1 2772/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MTNR1A 2739/4885MTNR1B 2549/4885FFAR1 2710/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MTNR1A 3261/4885MTNR1B 2789/4885FFAR1 3463/4885

“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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