SCHEMBL3636191

SCHEMBL3636191

C[C@@H](COC(=O)N1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ USP2 O75604 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PTPRB P23467 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ RORC P51449 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
SCHEMBL3631393 0.95 MMP8 (0.42) LMNAALDH1A1KMT2AMEN1ESR1
SCHEMBL3631395 0.95 MMP8 (0.42) LMNAALDH1A1KMT2AMEN1ESR1
SCHEMBL3634554 0.94 ALOX15 (0.43) LMNAALDH1A1KMT2AMEN1ESR1
SCHEMBL3635250 0.93 LMNA (0.51) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3636432 0.92 LMNA (0.41) LMNAALDH1A1KMT2AMEN1ESR1
SCHEMBL3636260 0.92 HTT (0.43) LMNAALDH1A1KMT2AMEN1ESR1
SCHEMBL3631273 0.92 LMNA (0.46) LMNAALDH1A1USP2SMN1; SMN2HTT
SCHEMBL3635829 0.90 LMNA (0.44) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3635155 0.90 HPGD (0.49) KMT2AMEN1HTTHPGDKDM4E
SCHEMBL3740359 0.90 SMN1; SMN2 (0.40) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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 9 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
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO 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
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO 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 LMNA 3040/4885ALDH1A1 898/4885KMT2A 4004/4885

“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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