SCHEMBL18837960

SCHEMBL18837960

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(F)cc1F

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 15/20 0.84
▸ ICAM1 P05362 15/20 0.84
▸ ITGAL P20701 15/20 0.84
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ERAP2 Q6P179 1/20 0.61

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
SCHEMBL21194988 1.00 ITGB2 (0.84) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL11949519 0.89 ITGB2 (0.85) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL23092632 0.84 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2
SCHEMBL11874268 0.84 ITGB2 (0.81) ITGB2ICAM1ITGALERAP2
SCHEMBL16599700 0.84 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL16599702 0.84 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL21623656 0.84 ITGB2 (1.00) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL21623657 0.84 ITGB2 (1.00) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL15145360 0.82 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL30081478 0.82 ITGB2 (0.74) ITGB2ICAM1ITGALALDH1A1POLB

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 9 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-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 claimed
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 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 ITGB2 2649/4885ICAM1 4210/4885ITGAL 3631/4885
US-10925857-B2 Rational drug design targeting resistant gram-negative bacterial infections to polymyxin-class antibiotics APRT, NMT2, NMT1 ITGB2 2649/4885ICAM1 4210/4885ITGAL 3631/4885

“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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