SCHEMBL8050358

SCHEMBL8050358

CC(C)(C)CC1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 7/20 0.37
PTGS2 P35354 7/20 0.37
KMT2A Q03164 2/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA4 P22748 5/20 0.37
CA6 P23280 4/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL406518 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL26460198 0.94 CA1 (0.45) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL26460199 0.92 KMT2A (0.47) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL17540097 0.86 THRA (0.31) CA1CA2CA4
SCHEMBL14799318 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL24511059 0.77 THRA (0.31)
SCHEMBL19125184 0.76 NPC1 (0.33) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL15198303 0.75
SCHEMBL21006006 0.75
SCHEMBL2689519 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION THE JOHNS HOPKINS UNIVERSITY 2015-07-09 US disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 US disclosed
US-7462594-B2 Peptide-like compounds that inhibit coronaviral 3CL and flaviviridae viral proteases TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-09 US disclosed
US-20080125375-A1 PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-29 US disclosed
US-7304088-B2 Peptide like compounds for treating coronavirus or hepatitis C virus; severe acute respiratory distress syndrome TAIGEN BIOTECHNOLOGY (TW) 2007-12-04 US disclosed
US-20050143320-A1 Protease inhibitors TAIGEN BIOTECHNOLOGY 2005-06-30 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 (6 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-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX NPC1 1975/4885RAB9A 1903/4885SMN1; SMN2 3244/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB NPC1 4055/4885RAB9A 895/4885SMN1; SMN2 1910/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ NPC1 2041/4885RAB9A 2254/4885SMN1; SMN2 3560/4885
US-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION SLC35A1, FUT5, SLC17A5 NPC1 1448/4885RAB9A 2512/4885SMN1; SMN2 3282/4885
US-20050143320-A1 Protease inhibitors PREP, SPINT2, SERPINB1 NPC1 1078/4885RAB9A 2489/4885SMN1; SMN2 2916/4885
US-20080125375-A1 PROTEASE INHIBITORS PREP, SERPINB1, SPINT2 NPC1 826/4885RAB9A 2403/4885SMN1; SMN2 3033/4885

“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.