SCHEMBL3670538

SCHEMBL3670538

COc1cc(N(C)C(=O)N(C)C(Cc2ccccc2)C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.49
ABCC1 P33527 1/20 0.47
FKBP4 Q02790 1/20 0.47
FKBP5 Q13451 1/20 0.47
PTAFR P25105 7/20 0.41
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL3675773 0.95 FKBP1A (0.46) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL8462850 0.86 FKBP1A (0.40) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL6473445 0.81 TBXAS1 (0.39) FKBP1ALMNAKDM4EALDH1A1POLB
SCHEMBL6476183 0.81 TBXAS1 (0.41) FKBP1AKDM4EALDH1A1POLBHPGD
SCHEMBL3673587 0.72 FKBP1A (0.76) FKBP1AABCC1FKBP4FKBP5
SCHEMBL3673585 0.72 FKBP1A (0.76) FKBP1AABCC1FKBP4FKBP5
SCHEMBL5015211 0.71 FKBP1A (0.48) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL7464552 0.67 FKBP1A (0.47) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL5015213 0.66 FKBP1A (0.45) FKBP1AABCC1FKBP4FKBP5LMNA
SCHEMBL7129468 0.66 FKBP1A (1.00) FKBP1AABCC1FKBP4FKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1138673-B1 Novel carbamates and ureas as modifiers of multi-drug resistance VERTEX PHARMA (US) 2008-08-06 EP claimed
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP claimed
EP-1138673-A2 Novel carbamates and ureas as modifiers of multi-drug resistance Vertex Pharmaceuticals Incorporated (US) 2001-10-04 EP claimed
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP claimed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO claimed
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP claimed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 WO claimed
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20090291964-A1 Potentiators of Antibacterial Activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-26 US disclosed
EP-1138673-B1 Novel carbamates and ureas as modifiers of multi-drug resistance VERTEX PHARMA (US) 2008-08-06 EP disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 US disclosed
WO-2005007162-A1 COMPOUNDS AUGMENTING THE ACTIVITY OF ANTIBACTERIAL AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 FKBP1A 1960/4885ABCC1 72/4885FKBP4 2416/4885
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 FKBP1A 2885/4885ABCC1 14/4885FKBP4 3274/4885

“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.