SCHEMBL8288443

SCHEMBL8288443

O=C(CS)NC[C@@H]1CCCO1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
USP2 O75604 1/20 0.70
HPGD P15428 7/20 0.68
TP53 P04637 1/20 0.68
ALOX12 P18054 1/20 0.68
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 2/20 0.54
MCL1 Q07820 1/20 0.52

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
SCHEMBL8288440 1.00 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL8271079 0.86 HPGD (0.76) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL26789172 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL4051295 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL4055789 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL25739943 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL3154658 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL26789169 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL10341245 0.81 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL24575950 0.81 HPGD (0.72) SMN1; SMN2USP2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 SMN1; SMN2 661/4885USP2 3827/4885HPGD 2634/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G SMN1; SMN2 564/4885USP2 2617/4885HPGD 1599/4885

“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.