SCHEMBL3672384

SCHEMBL3672384

COc1cc(OC(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.78
FKBP4 Q02790 2/20 0.78
FKBP5 Q13451 2/20 0.78
ABCC1 P33527 1/20 0.78

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
Biricodar SCHEMBL13038499 0.88 FKBP1A (1.00) FKBP1AFKBP4FKBP5ABCC1
Biricodar SCHEMBL29405867 0.88 FKBP1A (1.00) FKBP1AFKBP4FKBP5ABCC1
Biricodar SCHEMBL7546702 0.88 FKBP1A (1.00) FKBP1AFKBP4FKBP5ABCC1
Biricodar SCHEMBL154547 0.88 FKBP1A (1.00) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL19719611 0.87 FKBP1A (0.77) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3673585 0.86 FKBP1A (0.76) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3673581 0.86 FKBP1A (0.78) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3673587 0.86 FKBP1A (0.76) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL8863748 0.86 FKBP1A (0.62) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL16586355 0.85 FKBP1A (0.75) FKBP1AFKBP4FKBP5ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 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-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 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
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US 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
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US 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-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 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
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP disclosed
EP-1138673-A2 Novel carbamates and ureas as modifiers of multi-drug resistance Vertex Pharmaceuticals Incorporated (US) 2001-10-04 EP disclosed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US disclosed
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP disclosed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 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-20090291964-A1 Potentiators of Antibacterial Activity SLC11A2, MPO, ABCB11 FKBP1A 1960/4885FKBP4 2416/4885FKBP5 2372/4885
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 2885/4885FKBP4 3274/4885FKBP5 3439/4885

“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.