SCHEMBL3871458

SCHEMBL3871458

COc1cccc(C(=O)NC(C)(C)C)c1.O=S(=O)(O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ KAT6A Q92794 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CES2 O00748 1/20 0.51
▸ CES1 P23141 1/20 0.51
▸ TSHR P16473 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ ANO1 Q5XXA6 1/20 0.51
▸ KCNK3 O14649 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NFKB1 P19838 1/20 0.50

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
SCHEMBL8541406 0.91 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13701694 0.83 KAT6A (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Methyl 3-Methoxybenzoate SCHEMBL7469145 0.81 SMN1; SMN2 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9828778 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10197594 0.78 LMNA (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6301076 0.77 NPC1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10806203 0.77 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13701741 0.77 LMNA (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13342147 0.77 HDAC8 (0.67) NPC1RAB9ASMN1; SMN2KAT6ALMNA
SCHEMBL21249304 0.77 LMNA (0.58) NPC1RAB9AKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619082-B2 Process for the preparation of 3-spiro′cyclohexan-1,3′-′3H!indolin-2′-one! derivatives SANOFI-AVENTIS (FR) 2009-11-17 — — US disclosed
EP-1421064-B1 PROCESS FOR THE PREPARATION OF 3-SPIRO'CYCLOHEXAM-1,3'-'3H!INDOLIN-2'-ONE! DERIVATIVES SANOFI AVENTIS (FR) 2005-05-11 — — EP disclosed
US-20040225124-A1 Process for the preparation of 3-spiro'cyclohexam-1,3'-'3h!indolin-2'-one! derivatives SANOFI-AVENTIS (FR) 2004-11-11 — — US disclosed
EP-1421064-A1 PROCESS FOR THE PREPARATION OF 3-SPIRO'CYCLOHEXAM-1,3'-'3H!INDOLIN-2'-ONE! DERIVATIVES Sanofi-Aventis (FR) 2004-05-26 — — EP disclosed
WO-2003011827-A1 PROCESS FOR THE PREPARATION OF 3-SPIRO'CYCLOHEXAM-1,3'-'3H!INDOLIN-2'-ONE! DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-02-13 — — 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-20040225124-A1 Process for the preparation of 3-spiro'cyclohexam-1,3'-'3h!indolin-2'-one! derivatives AQP1, AQP3, CIAPIN1 NPC1 1713/4885RAB9A 2018/4885MEN1 823/4885

“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.

Send feedback