SCHEMBL3753916

SCHEMBL3753916

COc1ccc(S(=O)(=O)n2c(=O)n(C3CCN(C(=O)OCC(C)N(Cc4ccccc4)Cc4ccccc4)CC3)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MMP1 P03956 6/20 0.45
MMP3 P08254 6/20 0.45
MMP7 P09237 5/20 0.45
MMP9 P14780 5/20 0.45
MMP2 P08253 4/20 0.45
MMP8 P22894 4/20 0.45
CHRM5 P08912 2/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 2/20 0.43
MMP13 P45452 5/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3753910 1.00 ALDH1A1 (0.45) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3635264 0.94 SMN1; SMN2 (0.40) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3752377 0.94 SMN1; SMN2 (0.40) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3632017 0.92 ALDH1A1 (0.39) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3741872 0.92 ALDH1A1 (0.39) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3747348 0.90 SMN1; SMN2 (0.39) ALDH1A1CHRM5LMNACHRM2CHRM1
SCHEMBL3634034 0.90 SMN1; SMN2 (0.39) ALDH1A1CHRM5LMNACHRM2CHRM1
SCHEMBL3639156 0.89 ALDH1A1 (0.37) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3751386 0.89 SMN1; SMN2 (0.36) ALDH1A1CHRM5LMNACHRM2CHRM1
SCHEMBL3751382 0.89 SMN1; SMN2 (0.36) ALDH1A1CHRM5LMNACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 ALDH1A1 898/4885MMP1 734/4885MMP3 382/4885

“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.