SCHEMBL3740359

SCHEMBL3740359

Cc1ccccc1S(=O)(=O)N(c1ccccc1)C1CCN(C(=O)OC[C@H](C)N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTPRB P23467 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL3636191 0.90 LMNA (0.42) SMN1; SMN2ALDH1A1GAAPTPRBPTPN11
SCHEMBL3754927 0.89 HTR2A (0.42) PTPRBPTPN11HTR2AHTR2CCCR8
SCHEMBL3631395 0.87 MMP8 (0.42) SMN1; SMN2ALDH1A1GAAHTR2AHTR2C
SCHEMBL3631393 0.87 MMP8 (0.42) SMN1; SMN2ALDH1A1GAAHTR2AHTR2C
SCHEMBL3631273 0.86 LMNA (0.46) SMN1; SMN2ALDH1A1GAAHTR2AHTR2C
SCHEMBL3634554 0.86 ALOX15 (0.43) SMN1; SMN2ALDH1A1NPSR1HTR2AMEN1
SCHEMBL3633934 0.86 ABCB1 (0.42) CCR8
SCHEMBL3633936 0.86 ABCB1 (0.42) CCR8
SCHEMBL3635250 0.85 LMNA (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL3636679 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1GAAPTPRBPTPN11

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-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
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
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

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 SMN1; SMN2 3696/4885ALDH1A1 898/4885GAA 89/4885

“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.

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