SCHEMBL2950930

SCHEMBL2950930

N[C@@H](CSc1ccccc1)CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 2/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL376570 0.85 HSD17B10 (0.48) FKBP1AMAOAMAOBRAB9ANPC1
SCHEMBL25087871 0.85 HSD17B10 (0.48) FKBP1AMAOAMAOBRAB9ANPC1
Hydrochloric Acid SCHEMBL21523427 0.84 HSD17B10 (0.47) FKBP1AMAOAMAOBHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL21523430 0.84 HSD17B10 (0.47) FKBP1AMAOAMAOBHSD17B10ALDH1A1
SCHEMBL2942388 0.83 GAA (0.49) MAOAMAOBRAB9ANPC1MAPT
SCHEMBL6987077 0.83 GAA (0.49) MAOAMAOBRAB9ANPC1MAPT
SCHEMBL25424456 0.80 HSD17B10 (0.47) FKBP1AMAOAMAOBRAB9ANPC1
SCHEMBL25424454 0.80 HSD17B10 (0.47) FKBP1AMAOAMAOBRAB9ANPC1
Hydrochloric Acid SCHEMBL25424488 0.79 HSD17B10 (0.46) FKBP1ARAB9ANPC1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL25424490 0.79 HSD17B10 (0.46) FKBP1ARAB9ANPC1USP2SMN1; SMN2

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 FKBP1A 482/4885MAOA 3516/4885MAOB 2822/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FKBP1A 504/4885MAOA 3795/4885MAOB 2882/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FKBP1A 482/4885MAOA 3516/4885MAOB 2822/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR FKBP1A 603/4885MAOA 3476/4885MAOB 2224/4885

“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.