SCHEMBL18837955

SCHEMBL18837955

O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.74
▸ PTPN12 Q05209 1/20 0.68
▸ PTPN22 Q9Y2R2 1/20 0.68
▸ KMT2A Q03164 2/20 0.63
▸ AKR1B1 P15121 3/20 0.63
▸ MMP3 P08254 2/20 0.63
▸ PTPN1 P18031 2/20 0.63
▸ MMP13 P45452 2/20 0.63
▸ MEN1 O00255 1/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL18837956 1.00 ADAMTS5 (0.74) ADAMTS5PTPN12PTPN22KMT2AAKR1B1
SCHEMBL17319258 0.90 PTPN12 (0.64) ADAMTS5PTPN12PTPN22KMT2AAKR1B1
SCHEMBL12008490 0.88 CISD1 (0.70) ADAMTS5KMT2AAKR1B1PTPN1MEN1
SCHEMBL20837899 0.86 KMT2A (0.71) ADAMTS5PTPN12PTPN22KMT2AAKR1B1
SCHEMBL12008731 0.86 FFAR1 (0.71) ADAMTS5KMT2AMEN1POLB
SCHEMBL10492163 0.86 PTPN12 (0.77) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL10492165 0.86 PTPN12 (0.77) PTPN12PTPN22KMT2AAKR1B1MMP3
SCHEMBL10492255 0.85 AKR1B1 (0.72) ADAMTS5PTPN12PTPN22KMT2AAKR1B1
SCHEMBL10492260 0.85 AKR1B1 (0.72) ADAMTS5PTPN12PTPN22KMT2AAKR1B1
SCHEMBL14652604 0.85 PTPN12 (0.67) ADAMTS5PTPN12PTPN22KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3374027-B1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS UNIV COLUMBIA (US) 2021-06-23 — — EP claimed
US-20190231747-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-08-01 — — US claimed
EP-3374027-B1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS UNIV COLUMBIA (US) 2021-06-23 — — EP disclosed
US-10925857-B2 Rational drug design targeting resistant gram-negative bacterial infections to polymyxin-class antibiotics THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-23 — — US disclosed
US-20190231747-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-08-01 — — US disclosed
EP-3374027-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS The Trustees of Columbia University in the City of New York (US) 2018-09-19 — — EP disclosed
WO-2017083859-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-18 — — WO 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-20190231747-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS APRT, NMT2, NMT1 ADAMTS5 2536/4885PTPN12 2586/4885PTPN22 2245/4885
US-10925857-B2 Rational drug design targeting resistant gram-negative bacterial infections to polymyxin-class antibiotics APRT, NMT2, NMT1 ADAMTS5 2536/4885PTPN12 2586/4885PTPN22 2245/4885

“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.

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