SCHEMBL3885398

SCHEMBL3885398

CC(C)(C)C(=O)OCc1nc(CCl)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 6/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL28159601 0.83 KMT2A (0.44) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL12126031 0.80 NPC1 (0.59) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL459217 0.78 RAB9A (0.56) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL4850292 0.75 MAPT (0.52) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL1421535 0.74 RAB9A (0.60) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL8123118 0.74 ALDH1A1 (0.45) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL3865309 0.74 ALDH1A1 (0.37) RAB9ANPC1L3MBTL1TDP1MAPT
Hydrochloric Acid SCHEMBL7178258 0.73 ALDH1A1 (0.47) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL4784274 0.70 RAB9A (0.76) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL4726570 0.70 RAB9A (0.76) RAB9ANPC1L3MBTL1TDP1CASP3

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
EP-2135867-B1 Trans-9, 10-dehydroepothilone C and trans-9, 10-dehydroepothilone D, analogs thereof and methods of making the same KOSAN BIOSCIENCES INC (US) 2013-09-25 EP disclosed
EP-2135867-A1 Trans-9, 10-dehydroepothilone C and trans-9, 10-dehydroepothilone D, analogs thereof and methods of making the same Kosan Biosciences Incorporated (US) 2009-12-23 EP disclosed
EP-1562941-B1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME KOSAN BIOSCIENCES INC (US) 2009-12-23 EP disclosed
EP-2135868-A1 TRANS-9, 10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME Kosan Biosciences Incorporated (US) 2009-12-23 EP disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME KOSAN BIOSCIENCES, INC. (US) 2009-07-23 US disclosed
EP-1562941-A2 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME Kosan Biosciences, Inc. (US) 2005-08-17 EP disclosed
US-20040152708-A1 Trans-9,10-dehydroepothilone C and D, analogs thereof and methods of making the same KOSAN BIOSCIENCES, INC. 2004-08-05 US disclosed
WO-2004043954-A2 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME KOSAN BIOSCIENCES INCORPORATED (US) 2004-05-27 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 (2 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-20040152708-A1 Trans-9,10-dehydroepothilone C and D, analogs thereof and methods of making the same TMSB10, TUBA1C, TUBB1 RAB9A 589/4885NPC1 1249/4885L3MBTL1 923/4885
US-20090186927-A1 TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME TMSB10, TUBA1C, TUBB1 RAB9A 589/4885NPC1 1249/4885L3MBTL1 923/4885

“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.