SCHEMBL2273405

SCHEMBL2273405

COc1ccc(CC(=O)S)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
CTBP2 P56545 1/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
IDO1 P14902 1/20 0.54
LDHA P00338 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
F2RL1 P55085 1/20 0.52
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3628705 0.83 HTT (0.68) HTTSMN1; SMN2CTBP2ALDH1A1LDHA
SCHEMBL3175977 0.82 HTT (0.61) HTTSMN1; SMN2CTBP2ALDH1A1IDO1
SCHEMBL1525068 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2ALDH1A1LDHA
SCHEMBL240822 0.81 KDM4E (0.74) HTTSMN1; SMN2CTBP2ALDH1A1GAA
SCHEMBL28709451 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2ALDH1A1LDHA
SCHEMBL48525 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2ALDH1A1LDHA
SCHEMBL498482 0.80 F2RL1 (0.68) SMN1; SMN2ALDH1A1POLBF2RL1NPC1
SCHEMBL9548104 0.80 HTT (0.59) HTTSMN1; SMN2CTBP2ALDH1A1IDO1
SCHEMBL10640045 0.79 HTT (0.63) HTTSMN1; SMN2CTBP2ALDH1A1LDHA
SCHEMBL1067193 0.79 HTT (0.63) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521845-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITÄT-MÜNCHEN (DE) 2016-12-20 US disclosed
US-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-06-12 US disclosed
US-8669283-B2 Beta-lactones as antibacterial agents LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2014-03-11 US disclosed
US-8563598-B2 2013-10-22 US disclosed
US-20110196027-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN 2011-08-11 US disclosed
EP-2254574-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS Ludwig-Maximilians-Universität München (DE) 2010-12-01 EP disclosed
WO-2009106211-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2009-09-03 WO disclosed
US-5519051-A AROMATASE INHIBITORS USEFUL FOR TREATMENT OF DISEASES CAUSED BY EXCESS OF ESTROGEN, FOR EXAMPLE, BREAST CANCER, UTERINE CANCER TEIKOKU HORMONE MFG. CO., LTD. (JP) 1996-05-21 US disclosed
EP-0582713-A1 NOVEL OXA- OR AZASTEROID DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1994-02-16 EP disclosed
US-4571437-A CATALYTIC HYDROGENATION REDUCTION AND REARRANGEMENT OF NITROBENZENE IN PRESENCE OF SULFUR COMPOUND MALLINCKRODT, INC. (US) 1986-02-18 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-20140163094-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS ALG8, PGLS, GLA HTT 2856/4885SMN1; SMN2 4873/4885CTBP2 1726/4885
US-20110196027-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS ALG8, PGLS, GLA HTT 2856/4885SMN1; SMN2 4873/4885CTBP2 1726/4885

“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.