Sugi Predict

Sugi Predict / Compounds / SCHEMBL1742740

SCHEMBL1742740

SCHEMBL1742740

CC(N=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ KCNH2 Q12809 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ TSHR P16473 4/20 0.41
▸ CES2 O00748 3/20 0.41
▸ CES1 P23141 3/20 0.41
▸ DAO P14920 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ PTGS1 P23219 2/20 0.41

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
SCHEMBL7292387 1.00 ALDH1A1 (0.47) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL14582363 0.86 ALDH1A1 (0.46) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL1813116 0.81 GAA (0.49) ALDH1A1MAPTNPSR1AAK1TSHR
SCHEMBL1813115 0.81 GAA (0.49) ALDH1A1MAPTNPSR1AAK1TSHR
SCHEMBL12660405 0.80 ALDH1A1 (0.45) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL28071329 0.80 ALDH1A1 (0.45) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL22125720 0.78 TSHR (0.44) ALDH1A1MAPTSMN1; SMN2LMNAAAK1
SCHEMBL1661845 0.78 MEN1 (0.53) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL30762080 0.78 MEN1 (0.53) ALDH1A1KCNH2PGRADRA2AADRA2B
SCHEMBL9847924 0.78 MEN1 (0.53) ALDH1A1KCNH2PGRADRA2AADRA2B

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119061087-A Synthesis method of (S) -2-amino-5, 5-dimethylhexanoic acid 四川同晟生物医药有限公司 2024-12-03 — — CN disclosed
EP-4346898-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2024-04-10 — — EP disclosed
WO-2023107597-A2 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
WO-2022251292-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2022-12-01 — — WO disclosed
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
EP-3873884-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 — — US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 — — EP disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 — — US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 — — WO disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 — — US disclosed
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 — — US disclosed
WO-2010085797-A2 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 — — WO disclosed
WO-2010062829-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR TREATING OSTEOPOROSIS LEXICON PHARMACEUTICALS, INC. (US) 2010-06-03 — — WO disclosed
EP-1812431-A1 4-(PYRAZINE-2-YL)-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2007-08-01 — — EP disclosed
WO-2006045615-A1 4- (PYRAZINE-2-YL) -PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-04 — — WO disclosed
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 — — US disclosed
EP-0907649-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1999-04-14 — — EP disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 — — 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 (4 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-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 ALDH1A1 407/4885KCNH2 3841/4885PGR 3595/4885
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD ALDH1A1 131/4885KCNH2 4119/4885PGR 4636/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 ALDH1A1 407/4885KCNH2 3841/4885PGR 3595/4885
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 ALDH1A1 407/4885KCNH2 3841/4885PGR 3595/4885

“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.