Sugi Predict

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SCHEMBL436707

SCHEMBL436707

O=C(Nc1ccc2c(oc(=O)c3occc32)c1C(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAOA P21397 1/20 0.43
▸ PLAU P00749 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ KCNA2 P16389 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ KCNA1 Q09470 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL435850 0.87 MAOB (0.43) MAOBNPC1RAB9AMAOAPLAU
SCHEMBL27609941 0.72 PLAU (0.57) MAOBNPC1RAB9APLAUCASP3
SCHEMBL8654958 0.69 NPC1 (0.61) MAOBNPC1RAB9APLAUCASP3
SCHEMBL14937516 0.69 NPC1 (0.43) MAOBNPC1RAB9AMAOAPLAU
SCHEMBL13737202 0.69 NPC1 (0.53) MAOBNPC1RAB9APLAUCASP3
SCHEMBL10489837 0.68 NPC1 (0.76) MAOBNPC1RAB9APLAUCASP3
SCHEMBL20326798 0.68 NPC1 (0.52) MAOBNPC1RAB9ACASP3MGLL
SCHEMBL6935278 0.67 MAOB (0.58) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL10489681 0.67 NPC1 (0.62) MAOBNPC1RAB9AMAOAPLAU
SCHEMBL2233522 0.67 NPC1 (0.69) MAOBNPC1RAB9APLAUCASP3

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 MAOB 175/4885NPC1 756/4885RAB9A 4164/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 MAOB 175/4885NPC1 756/4885RAB9A 4164/4885

“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.