Sugi Predict

Sugi Predict / Compounds / SCHEMBL10175128

SCHEMBL10175128

SCHEMBL10175128

CC(=O)C[C@@H](N)CSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ MTNR1A P48039 7/20 0.53
▸ MTNR1B P49286 7/20 0.53
▸ FFAR1 O14842 1/20 0.44
▸ MMP2 P08253 3/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL25274884 0.86 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL25236742 0.86 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540192 0.84 MAOA (0.52) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL554681 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL554680 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL555137 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL4905285 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540158 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL376741 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL10175130 0.81 MTNR1A (0.58) MAOAMAOBMTNR1AMTNR1BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 — — US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 — — US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 — — US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 — — US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 — — US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 MAOA 3289/4885MAOB 1743/4885MTNR1A 3368/4885

“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.