SCHEMBL9911437

SCHEMBL9911437

CC(C)OCC(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.36
CNR1 P21554 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL18354258 0.83 KMT2A (0.44) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL18104670 0.83 BCHE (0.44) ALDH1A1KMT2AMEN1CYP2D6SLC6A2
SCHEMBL25063765 0.83 EPHX2 (0.45) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL20061879 0.82 AAK1 (0.38) RAB9AALDH1A1KMT2AMAPTLMNA
SCHEMBL24808265 0.82 ALDH1A1 (0.39) RAB9AALDH1A1KMT2AMAPTCYP3A4
SCHEMBL22525933 0.82 KDM4E (0.41) RAB9AALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL25884918 0.82 KMT2A (0.50) ALDH1A1KMT2AMEN1LMNA
SCHEMBL23059841 0.80 ALDH1A1 (0.39) RAB9AALDH1A1KMT2ALMNA
SCHEMBL9911444 0.80 ECE1 (0.47) RAB9AALDH1A1KMT2ALMNACNR1
SCHEMBL14366096 0.80 ALDH1A1 (0.38) RAB9AALDH1A1KMT2AMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 US disclosed
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-12-27 US disclosed
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2022-01-20 US disclosed
US-11014882-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 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 (8 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-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD RAB9A 4465/4885ALDH1A1 222/4885KMT2A 2306/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 RAB9A 2453/4885ALDH1A1 3801/4885KMT2A 2650/4885
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD RAB9A 4465/4885ALDH1A1 222/4885KMT2A 2306/4885
US-11014882-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD RAB9A 4465/4885ALDH1A1 222/4885KMT2A 2306/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 RAB9A 2572/4885ALDH1A1 4026/4885KMT2A 3149/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA RAB9A 2364/4885ALDH1A1 577/4885KMT2A 597/4885
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD RAB9A 4465/4885ALDH1A1 222/4885KMT2A 2306/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E RAB9A 3111/4885ALDH1A1 411/4885KMT2A 1509/4885

“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.