Sugi Predict

Sugi Predict / Compounds / SCHEMBL392082

SCHEMBL392082

SCHEMBL392082

CC(=O)SCC(Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ RARG P13631 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ NR1H2 P55055 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ NR1I3 Q14994 1/20 0.52
▸ MME P08473 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ LMNA P02545 2/20 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
SCHEMBL7431904 0.92 NR1H4 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7432902 0.91 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7397309 0.91 PARP1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7432011 0.90 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7431217 0.90 KCNK3 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7389852 0.89 ALDH1A1 (0.50) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL7431596 0.89 NPC1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7431935 0.88 TSHR (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7429797 0.88 PPARA (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7440807 0.88 ALDH1A1 (0.53) ALDH1A1LMNARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038379-A1 PHARMACEUTICAL COMPOSITION WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2020-02-06 — — US claimed
CN-110237071-A Pharmaceutical preparation and its application 武汉朗来科技发展有限公司 2019-09-17 — — CN claimed
CN-110237072-A The preparation method of pharmaceutical composition 武汉朗来科技发展有限公司 2019-09-17 — — CN claimed
WO-2019170136-A1 PHARMACEUTICAL FORMULATION AND USE THEREOF 武汉朗来科技发展有限公司 2019-09-12 — — WO claimed
WO-2019170135-A1 MEDICINE COMPOSITION PREPARATION METHOD 武汉朗来科技发展有限公司 2019-09-12 — — WO claimed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US claimed
EP-3524250-A1 PHARMACEUTICAL COMPOSITION Wuhan LL Science And Technology Development Co., Ltd. (CN) 2019-08-14 — — EP claimed
CN-109803657-A Pharmaceutical composition 武汉朗来科技发展有限公司 2019-05-24 — — CN claimed
WO-2018211479-A1 STABILIZED COMPOSITIONS OF ANGIOTENSIN II INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2018-11-22 — — WO claimed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US claimed
EP-1467728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS Novartis AG (CH) 2004-10-20 — — EP claimed
US-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders NOVARTIS PHARMACEUTICALS CORPORATION 2003-07-31 — — US claimed
WO-2003059345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS NOVARTIS AG (CH) 2003-07-24 — — WO claimed
EP-0605589-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NATRIURETIC PEPTIDES OR NEUTRAL ENDOPEPTIDASE INHIBITORS FOR TREATING OR PREVENTING MYOINTIMAL PROLIFERATION SCHERING CORPORATION (US) 1994-07-13 — — EP claimed
WO-1993010773-A1 USE OF NEUTRAL ENDOPEPTIDASE INHIBITORS IN THE TREATMENT OF LEFT VENTRICULAR HYPERTROPHY SCHERING-PLOUGH S.P.A. (IT) 1993-06-10 — — WO claimed
WO-1993005809-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NATRIURETIC PEPTIDES OR NEUTRAL ENDOPEPTIDASE INHIBITORS FOR TREATING OR PREVENTING MYOINTIMAL PROLIFERATION SCHERING CORPORATION (US) 1993-04-01 — — WO claimed
EP-0533084-A1 Pharmaceutical compositions comprising natriuretic peptides or neutral endopeptidase inhibitors for treating and preventing myointimal proliferation SCHERING CORPORATION (US) 1993-03-24 — — EP claimed
WO-1992018159-A1 USE OF NEUTRAL ENDOPEPTIDASE INHIBITORS IN THE TREATMENT OF NEPHROTOXICITY SCHERING CORPORATION (US) 1992-10-29 — — WO claimed
EP-0509442-A1 Use of neutral endopeptidase inhibitors in the treatment of nephrotoxicity SCHERING CORPORATION (US) 1992-10-21 — — EP claimed
US-4879309-A ENKEPHALINASE INHIBITORS SCHERING CORPORATION (US) 1989-11-07 — — US claimed

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-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders MME, REN, AGTR1 ALDH1A1 2505/4885CYP1A2 1754/4885CYP3A4 2113/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A ALDH1A1 1873/4885CYP1A2 3748/4885CYP3A4 4612/4885
US-20200038379-A1 PHARMACEUTICAL COMPOSITION MME, ANPEP, TMPRSS15 ALDH1A1 2416/4885CYP1A2 1373/4885CYP3A4 725/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A ALDH1A1 1873/4885CYP1A2 3748/4885CYP3A4 4612/4885

“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.