Sugi Predict

Sugi Predict / Compounds / SCHEMBL6878186

SCHEMBL6878186

SCHEMBL6878186

CON=C([C]=O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NPC1 O15118 8/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ PKM P14618 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL6878184 1.00 CES2 (0.47) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL9143119 1.00 CES2 (0.47) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11264615 0.82 NPC1 (0.40) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL9329375 0.82 NPC1 (0.40) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11253231 0.80 KMT2A (0.43) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11253237 0.80 KMT2A (0.43) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11329136 0.79 SMN1; SMN2 (0.44) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11329134 0.79 SMN1; SMN2 (0.44) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL9143664 0.78 CES2 (0.48) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL9143662 0.78 CES2 (0.48) CES2CES1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681224-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2014-01-08 — — EP claimed
WO-2012117038-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-09-07 — — WO claimed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 — — US claimed
EP-1444237-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS Pfaendler, Hans Rudolf (DE) 2004-08-11 — — EP claimed
WO-2003042219-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS PFAENDLER HANS RUDOLF (DE) 2003-05-22 — — WO claimed
EP-0548338-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES ANTIBIOTICOS SPA (IT) 1996-10-23 — — EP claimed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 — — EP claimed
US-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 — — US claimed
US-4831130-A β-lactam antibacterial agents HOFFMANN-LA ROCHE INC. (US) 1989-05-16 — — US claimed
EP-0000645-B1 ISOPENICILLINS, PROCESSES FOR THEIR PREPARATION, AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-01-28 — — EP claimed
EP-0000645-A1 Isopenicillins, processes for their preparation, and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-02-07 — — EP claimed
US-4122086-A Isopenicillins SMITHKLINE CORPORATION (US) 1978-10-24 — — US claimed
EP-2681224-B1 DEGRADATION OF PENICILLIN COMPOUNDS DSM SINOCHEM PHARM NL BV (NL) 2016-06-22 — — EP disclosed
EP-2681224-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2014-01-08 — — EP disclosed
WO-2012117038-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-09-07 — — WO disclosed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 — — US disclosed
US-4234724-A OXADETHIACEPHEMCARBOXYLIC ACIDS FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-11-18 — — US disclosed
US-4144333-A Monocyclic beta-lactams with antibacterial activity SMITHKLINE CORPORATION (US) 1979-03-13 — — US disclosed
EP-0000645-A1 Isopenicillins, processes for their preparation, and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-02-07 — — EP disclosed
US-4122086-A Isopenicillins SMITHKLINE CORPORATION (US) 1978-10-24 — — 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 (1 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-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics CBR3, CBR1, SULT1E1 CES2 101/4885CES1 127/4885NPC1 1541/4885

“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.