Sugi Predict

Sugi Predict / Compounds / SCHEMBL4904713

SCHEMBL4904713

SCHEMBL4904713

CCOC(=O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.57
▸ MAPT P10636 8/20 0.57
▸ MEN1 O00255 7/20 0.57
▸ GAA P10253 5/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ RECQL P46063 1/20 0.57
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL8685885 1.00 KMT2A (0.57) KMT2AMAPTMEN1GAATDP1
SCHEMBL4904699 1.00 KMT2A (0.57) KMT2AMAPTMEN1GAATDP1
Hydrochloric Acid SCHEMBL10377373 0.99 KMT2A (0.56) KMT2AMAPTMEN1GAATDP1
Hydrochloric Acid SCHEMBL8843951 0.99 KMT2A (0.56) KMT2AMAPTMEN1GAATDP1
Hydrochloric Acid SCHEMBL2558723 0.99 KMT2A (0.56) KMT2AMAPTMEN1GAATDP1
SCHEMBL9344703 0.89 MAPT (0.55) KMT2AMAPTMEN1GAATDP1
SCHEMBL9345522 0.89 KMT2A (0.55) KMT2AMAPTMEN1GAATDP1
SCHEMBL9183482 0.89 MAPT (0.55) KMT2AMAPTMEN1GAATDP1
SCHEMBL9345517 0.89 KMT2A (0.55) KMT2AMAPTMEN1GAATDP1
SCHEMBL10546640 0.89 MAPT (0.43) KMT2AMAPTMEN1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 — — US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 — — US disclosed
US-20050215525-A1 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. 2005-09-29 — — US disclosed
WO-2004096285-A2 ANTI-INFECTIVE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 — — US disclosed
US-5663164-A CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES ROUSSEL UCLAF (FR) 1997-09-02 — — US disclosed
US-5336776-A Cephalopsporin intermediates; Staphyloccus septicemia and skin disorders; penicillin-resistant gramnegative bacteria ROUSSEL UCLAF (FR) 1994-08-09 — — US disclosed
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 — — EP disclosed
US-5103012-A Chemical intermediate ROUSSEL UCLAF (FR) 1992-04-07 — — US disclosed
US-4988816-A Chemical intermediates for cephalosporin antibiotics ROUSSEL UCLAF (FR) 1991-01-29 — — US disclosed
US-4307090-A CEPHALOSPORINS - BACTERICIDES ROUSSEL UCLAF (FR) 1981-12-22 — — US disclosed
US-4294960-A 7-[2-(2-Aminothiazol-4-yl)-2-cyclopentyloxyiminoacetamido]-3-cephem-4-carboxylic acid (synisomer) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-10-13 — — US disclosed
US-4288434-A Cephalosporanic acid derivatives ROUSSEL UCLAF (FR) 1981-09-08 — — US disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 — — US disclosed
US-4283396-A 3-Acetoxymethyl-7-(hydroxyiminoacetamido)-cephalosporanic acid derivatives ROUSSEL UCLAF (FR) 1981-08-11 — — US disclosed
US-4237128-A CEPHALOSPORINS USEFUL AGAINST GRAMNEGATIVE BACTERIA E. R. SQUIBB & SONS, INC. (US) 1980-12-02 — — US disclosed
US-4220761-A 7-[Substituted oximinoacetamido]-3-[hydroxy alkyltetrazolo]cephalosporin derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 — — US disclosed
US-4196205-A ANTIBIOTICS, BACTERICIDES ROUSSEL UCLAF (FR) 1980-04-01 — — US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 — — EP disclosed
US-4152432-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1979-05-01 — — 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 (2 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-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH KMT2A 4641/4885MAPT 4181/4885MEN1 2830/4885
US-20050215525-A1 Anti-infective phosphonate analogs PHOSPHO1, PGLS, PSPH KMT2A 4641/4885MAPT 4181/4885MEN1 2830/4885

“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.