Sugi Predict

Sugi Predict / Compounds / SCHEMBL304672

SCHEMBL304672

SCHEMBL304672

CC(C)C(C(=O)O)N(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ MMP8 P22894 2/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ ADRA2B P18089 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 3/20 0.49

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
SCHEMBL7780731 1.00 MMP2 (0.55) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL19521042 0.88 ADRA2B (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL10141141 0.88 ADRA2B (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL19521043 0.88 ADRA2B (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL5564821 0.86 LMNA (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL5564818 0.86 LMNA (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL17559603 0.86 ADRA2B (0.50) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL7781713 0.86 LMNA (0.51) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL17559606 0.86 ADRA2B (0.50) MMP2MMP9MMP8MMP13ADRA2B
SCHEMBL16197411 0.86 MMP13 (0.43) MMP2MMP9MMP8MMP13ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842142-B1 PROCESS FOR PRODUCING ALPHA-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AG (DE) 2001-09-26 — — EP claimed
EP-0842142-A1 PROCESS FOR PRODUCING $g(a)-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 — — EP claimed
WO-1997005096-A1 PROCESS FOR PRODUCING α-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO claimed
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 — — US disclosed
CN-107074808-B Therapeutic compounds as orexin-1 receptor inhibitors 希四克斯探索有限公司 2021-03-02 — — CN disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 — — US disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
EP-0842142-B1 PROCESS FOR PRODUCING ALPHA-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AG (DE) 2001-09-26 — — EP disclosed
US-5945543-A REACTING CORRESPONDING FREE ACIDS WITH PRIMARY OR SECONDARY AMINES IN THE PRESENCE OF ANHYDRIDES OF AN ALKANEPHOSPHONIC ACID BASF AKTIENGESELLSCHAFT (DE) 1999-08-31 — — US disclosed
EP-0842142-A1 PROCESS FOR PRODUCING $g(a)-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 — — EP disclosed
WO-1997005096-A1 PROCESS FOR PRODUCING α-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO disclosed
EP-0674652-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1995-10-04 — — EP disclosed
WO-1994013695-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 — — 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL MMP2 1291/4885MMP9 3670/4885MMP8 285/4885
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R MMP2 2404/4885MMP9 3149/4885MMP8 3499/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R MMP2 2404/4885MMP9 3149/4885MMP8 3499/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MMP2 1142/4885MMP9 3405/4885MMP8 235/4885

“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.