Sugi Predict

Sugi Predict / Compounds / SCHEMBL388107

SCHEMBL388107

SCHEMBL388107

CC(=O)SCC(Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ NR1H2 P55055 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ NR1H3 Q13133 1/20 0.48
▸ NR1I3 Q14994 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9730825 0.87 HPGD (0.39) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL10806394 0.84 TDP1 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9730881 0.82 ALDH1A1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5669039 0.81 FPR2 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL10438776 0.78 CYP1A2 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL10438775 0.78 CYP1A2 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL7435976 0.74 CYP1A2 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4985943 0.74 EPHX2 (0.47) SMN1; SMN2ALDH1A1MMP1MMP2MMP3
SCHEMBL8315751 0.73 KCNQ2 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9732351 0.73 KMT2A (0.39) ALDH1A1MMP1RAB9AACE

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 95 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-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
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US 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
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
EP-3524250-A1 PHARMACEUTICAL COMPOSITION Wuhan LL Science And Technology Development Co., Ltd. (CN) 2019-08-14 — — EP 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
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2012-06-07 — — US claimed
JP-4820056-B2 — — 2011-11-24 — — JP 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
EP-0518943-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1992-12-23 — — 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-5075302-A Treating hypertension, congestive heart failure SCHERING CORPORATION (US) 1991-12-24 — — US claimed
WO-1991013870-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-09-19 — — WO 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-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, MME, ACE CYP3A4 1592/4885CYP2D6 732/4885CYP2C9 606/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A CYP3A4 4612/4885CYP2D6 3722/4885CYP2C9 4445/4885
US-20200038379-A1 PHARMACEUTICAL COMPOSITION MME, ANPEP, TMPRSS15 CYP3A4 725/4885CYP2D6 551/4885CYP2C9 393/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A CYP3A4 4612/4885CYP2D6 3722/4885CYP2C9 4445/4885

“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.