Sugi Predict

Sugi Predict / Compounds / SCHEMBL349497

SCHEMBL349497

SCHEMBL349497

NC([C]=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.43
▸ ESR2 Q92731 7/20 0.43
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX15 P16050 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CA3 P07451 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38

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
SCHEMBL11243676 1.00 ESR1 (0.43) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL29012807 1.00 ESR1 (0.43) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL9665245 0.78 MAPT (0.40) HIF1ATSHRALOX15KDM4ETDP1
SCHEMBL10403346 0.76 ESR1 (0.48) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL11301520 0.76 ESR1 (0.60) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL11015372 0.76 ADRB2 (0.50) HIF1ANFKB1TSHRTDP1CYP3A4
SCHEMBL7192536 0.76 TDP1 (0.50) TAAR1HIF1ANFKB1TSHRALOX15
SCHEMBL1036920 0.75 DPP4 (0.50) TAAR1HIF1AKDM4ELMNACYP2D6
SCHEMBL11186081 0.75 ESR1 (0.46) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL3758015 0.75 DPP4 (0.50) TAAR1HIF1AKDM4ELMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5387679-A Useful intermediates in synthesis of Cefazolin and Cefazedone ANTIBIOTICOS S.P.A. (IT) 1995-02-07 — — US claimed
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 — — EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 — — WO claimed
US-5245027-A 3-FLUOROSULFONYLOXYCEPH-3-EM COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-14 — — US claimed
EP-0548338-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES. ANTIBIOTICOS SPA (IT) 1993-06-30 — — EP claimed
WO-1993002085-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS INTERMEDIATES ANTIBIOTICOS S.P.A. (IT) 1993-02-04 — — WO claimed
US-4244951-A Bis-esters of methanediol with penicillins and penicillanic acid 1,1-dioxide PFIZER INC. (US) 1981-01-13 — — US claimed
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 — — US claimed
US-4171439-A Antibacterial analogs of isocephalosporins BRISTOL-MYERS COMPANY (US) 1979-10-16 — — US claimed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 — — US claimed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 — — US claimed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 — — US claimed
US-4144333-A Monocyclic beta-lactams with antibacterial activity SMITHKLINE CORPORATION (US) 1979-03-13 — — US claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 — — US claimed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 — — US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 — — 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 (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 ESR1 1678/4885ESR2 1260/4885PDCD1 4456/4885

“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.