SCHEMBL3033970

SCHEMBL3033970

CCOC(=O)c1ccc(C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPY2R P49146 2/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL3040729 0.92 FDFT1 (0.53) FDFT1TDP1NPY2RRAB9ANPC1
SCHEMBL17389542 0.86 FDFT1 (0.58) FDFT1TDP1CA12CA1CA2
SCHEMBL15952966 0.86 CA12 (0.50) FDFT1TDP1CA12CA1CA2
SCHEMBL248915 0.85 RAB9A (0.50) FDFT1TDP1RAB9ANPC1ALDH1A1
SCHEMBL4003420 0.85 CA12 (0.59) FDFT1TDP1CA12CA1CA2
SCHEMBL3154927 0.84 NPY2R (0.48) FDFT1NPY2RALDH1A1
SCHEMBL8040438 0.83 NAMPT (0.54) FDFT1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17360240 0.83 KMT2A (0.55) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28022173 0.82 FDFT1 (0.53) FDFT1TDP1CA12CA1CA2
SCHEMBL15231639 0.82 FDFT1 (0.54) FDFT1TDP1CA12CA1CA2

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-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES Valo Health, LLC 2018-11-29 US disclosed
US-9822129-B2 Amido spirocyclic amide and sulfonamide derivatives GENENTECH, INC. (US) 2017-11-21 US disclosed
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 US disclosed
EP-2820008-B1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH INC (US) 2016-12-14 EP disclosed
EP-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH, INC. (US) 2016-01-07 US disclosed
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 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 (6 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-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 FDFT1 2123/4885TDP1 4383/4885CA12 945/4885
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 FDFT1 2123/4885TDP1 4383/4885CA12 945/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 FDFT1 2123/4885TDP1 4383/4885CA12 945/4885
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 FDFT1 2123/4885TDP1 4383/4885CA12 945/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 FDFT1 2123/4885TDP1 4383/4885CA12 945/4885
US-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 FDFT1 525/4885TDP1 333/4885CA12 4866/4885

“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.