SCHEMBL15436893

SCHEMBL15436893

CNCC(C(=O)c1cccs1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.43
TSHR P16473 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL9955480 0.74 CES2 (0.53) RAB9ANPC1ALDH1A1CES2CES1
Dimethylamine SCHEMBL28473067 0.71 CES2 (0.57) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL4132169 0.70 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5227559 0.69 DAO (0.53) RAB9ANPC1ALDH1A1CES2CES1
Hydrochloric Acid SCHEMBL6251045 0.68 DAO (0.52) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL5050004 0.68 TSHR (0.51) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL1937375 0.68 RAB9A (0.58) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL619898 0.68 CES2 (0.64) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL8522700 0.68 CTSK (0.46) RAB9ANPC1ALDH1A1CES2CES1
SCHEMBL15974627 0.67 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357874-A1 PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL SALTIGO GMBH (DE) 2014-12-04 US disclosed
US-20140031564-A1 PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL SALTIGO GMBH (DE) 2014-01-30 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 (2 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-20140357874-A1 PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL PNMT, SULT1A1, CYP51A1 RAB9A 3227/4885NPC1 547/4885ALDH1A1 192/4885
US-20140031564-A1 PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL PNMT, SULT1A1, CYP51A1 RAB9A 3227/4885NPC1 547/4885ALDH1A1 192/4885

“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.