SCHEMBL3580942

SCHEMBL3580942

CCC(C)OC(=O)C(C(=O)O)c1ncc([N+](=O)[O-])cc1I

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 6/20 0.36
▸ POLB P06746 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ CACNA1C Q13936 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL4435843 0.82 HTT (0.43) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL4435846 0.82 HTT (0.43) ALDH1A1MAPTGLAMEN1KMT2A
SCHEMBL3580938 0.80 MAPT (0.46) ALDH1A1MAPTPOLBGLAMEN1
SCHEMBL6645257 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL1645440 0.78 NPC1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15142139 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL4617811 0.78 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4279302 0.73 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4035324 0.73 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2644412 0.72 MAPT (0.34) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958873-B2 Proteasome activity enhancing compounds Kineta, Inc. (US) 2024-04-16 — — US disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 — — US disclosed
US-20220298181-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS INC (US) 2022-09-22 — — US disclosed
US-11242361-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2022-02-08 — — US disclosed
US-20200308198-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2020-10-01 — — US disclosed
US-20180282352-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2018-10-04 — — US disclosed
US-9850262-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-26 — — US disclosed
US-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2016-11-17 — — US disclosed
WO-2015073528-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-05-21 — — WO disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 — — US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 — — US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 — — EP disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 — — EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 — — WO disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 — — 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 (9 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-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 ALDH1A1 1756/4885MAPT 3163/4885POLB 981/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 ALDH1A1 2198/4885MAPT 1426/4885POLB 210/4885
US-20180282352-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-20220298181-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-11242361-B2 Proteasome activity enhancing compounds PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-20200308198-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885
US-11958873-B2 Proteasome activity enhancing compounds PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAPT 943/4885POLB 691/4885

“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