SCHEMBL932263

SCHEMBL932263

CSSC(C)(C)CN1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.31
CXCR4 P61073 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
Hydrochloric Acid SCHEMBL12080211 0.98 SMN1; SMN2 (0.34) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL19230234 0.82 SMN1; SMN2 (0.38) SIGMAR1ALDH1A1SMN1; SMN2POLBCXCR4
SCHEMBL18787478 0.74 GNAO1 (0.35) SIGMAR1
SCHEMBL1104721 0.73 SIGMAR1 (0.44) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL6431074 0.73 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL17327706 0.73 GNAO1 (0.37) SIGMAR1CXCR4
SCHEMBL14584234 0.72 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1308918 0.72 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
Bromide SCHEMBL4936619 0.72 SIGMAR1 (0.43) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL18073766 0.71

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-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
EP-2448929-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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 (1 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 SIGMAR1 3192/4885ALDH1A1 1912/4885HTT 3768/4885

“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.