SCHEMBL436654

SCHEMBL436654

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)ccc(-c2cocc2C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SYK P43405 1/20 0.38
MAOB P27338 1/20 0.37
CASP3 P42574 4/20 0.36
ALDH1A1 P00352 1/20 0.36
F10 P00742 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MGLL Q99685 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL438338 0.83 NPC1 (0.44) NPC1RAB9ASYKMAOBCASP3
SCHEMBL436706 0.80 NPC1 (0.40) NPC1RAB9ASYKMAOBCASP3
SCHEMBL13737363 0.79 NPC1 (0.49) NPC1RAB9ASYKMAOBCASP3
SCHEMBL7396740 0.71 MGLL (0.52) NPC1RAB9ASYKALDH1A1POLB
SCHEMBL435850 0.69 MAOB (0.43) NPC1RAB9ASYKMAOBCASP3
SCHEMBL14937516 0.68 NPC1 (0.43) NPC1RAB9AMAOBCASP3ALDH1A1
SCHEMBL8894133 0.68 NPC1 (0.53) NPC1RAB9ASYKMAOBCASP3
SCHEMBL3496550 0.68 NPC1 (0.58) NPC1RAB9AMAOBCASP3ALDH1A1
SCHEMBL3781539 0.68 NPC1 (0.47) NPC1RAB9ASYKMAOBHDAC3
SCHEMBL8889937 0.67 NPC1 (0.45) NPC1RAB9ASYKMAOBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 NPC1 756/4885RAB9A 4164/4885SYK 4070/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 NPC1 756/4885RAB9A 4164/4885SYK 4070/4885

“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.