Sugi Predict

Sugi Predict / Compounds / SCHEMBL9999529

SCHEMBL9999529

SCHEMBL9999529

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3nsc(N)n3)[C@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.72
▸ MAPT P10636 3/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ CNR1 P21554 1/20 0.72
▸ CTDSP1 Q9GZU7 1/20 0.72
▸ APAF1 O14727 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PSMD14 O00487 1/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ HPGD P15428 1/20 0.55
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ DUSP3 P51452 1/20 0.51

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
SCHEMBL2594857 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL2588286 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL12567053 0.93 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481752 0.90 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481268 0.90 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481264 0.90 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481983 0.88 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481985 0.88 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL16976192 0.86 MAPT (0.53) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481432 0.86 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139597-B2 Method for the production of ceftobiprole medocaril SANDOZ AG (CH) 2015-09-22 — — US disclosed
US-8865697-B2 Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 — — US disclosed
US-8093377-B2 Cephalosporin in crystalline form BASILEA PHARMACEUTICA AG (CH) 2012-01-10 — — US disclosed
US-8093377-B2 Cephalosporin in crystalline form BASILEA PHARMACEUTICA AG (CH) 2012-01-10 — — US disclosed
US-20090192306-A1 Cephalosporin in Crystalline Form BERGHAUSEN JOERG 2009-07-30 — — US disclosed
US-20090192306-A1 Cephalosporin in Crystalline Form BERGHAUSEN JOERG 2009-07-30 — — US disclosed
US-7531650-B2 Cephalosporin salts in crystalline form BASILEA PHARMACEUTICA AG (CH) 2009-05-12 — — US disclosed
US-7531650-B2 Cephalosporin salts in crystalline form BASILEA PHARMACEUTICA AG (CH) 2009-05-12 — — 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-20090192306-A1 Cephalosporin in Crystalline Form SFXN1, SHARPIN, CEP170 TDP1 3906/4885MAPT 2157/4885ABCC4 340/4885

“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.