SCHEMBL14815505

SCHEMBL14815505

O=S(=O)(c1cccs1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ PKM P14618 5/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RECQL P46063 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14816119 0.82 PKM (0.32) PKM
SCHEMBL14816175 0.80 MAPT (0.41) POLBPKMHPGDTSHRALDH1A1
SCHEMBL15462495 0.77 PKM (0.42) POLBPKMRAB9ANPC1HPGD
SCHEMBL14816031 0.77 PKM (0.42) POLBPKMRAB9ANPC1HPGD
SCHEMBL14816064 0.76 NAAA (0.34) NPC1ALDH1A1MAPT
SCHEMBL14815156 0.73 TRPV6 (0.41) —
SCHEMBL14815149 0.72 GPR119 (0.32) —
SCHEMBL14815342 0.69 KDM4E (0.38) TSHRALDH1A1LMNARECQLKDM4E
SCHEMBL14815458 0.69 GAA (0.41) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14815461 0.67 LIPE (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085141-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1D, CACNA1A POLB 4088/4885PKM 2827/4885RAB9A 4202/4885

“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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