SCHEMBL10239588

SCHEMBL10239588

CCOC(=O)/C=C(\C)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 4/20 0.48
RAB9A P51151 8/20 0.46
HPGD P15428 8/20 0.46
NPC1 O15118 7/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
CASP7 P55210 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11940620 1.00 ALDH1A1 (0.49) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL130201 0.86 ALDH1A1 (0.47) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL6630778 0.83 ALDH1A1 (0.45) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL21365979 0.83 ALDH1A1 (0.45) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL7902858 0.83 ALDH1A1 (0.45) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL9709670 0.82 TSHR (0.68) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL9709665 0.82 TSHR (0.68) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL563449 0.81 ALDH1A1 (0.43) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL563447 0.81 ALDH1A1 (0.43) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL10239590 0.81 ALDH1A1 (0.43) ALDH1A1TSHRRAB9AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772330-B2 Inhibitor(s) of transporters or uptake of monoaminergic neurotransmitters STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-8492416-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-07-23 US disclosed
US-8492416-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-07-23 US disclosed
US-20120190725-A1 INHIBITOR(S) OF TRANSPORTERS OR UPTAKE OF MONOAMINERGIC NEUROTRANSMITTERS STATE UNIVERSITY 2012-07-26 US disclosed
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 US disclosed
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 US disclosed
US-8034958-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UOB Pharma, S.A. (BE) 2011-10-11 US disclosed
US-8034958-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UOB Pharma, S.A. (BE) 2011-10-11 US disclosed
US-20100222576-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2010-09-02 US disclosed
US-20100222576-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2010-09-02 US disclosed
US-7692028-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-04-06 US disclosed
US-7692028-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-04-06 US disclosed
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2008-04-24 US disclosed
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2008-04-24 US disclosed
US-7358276-B2 for treating neurological disorders such as epilepsy, neuropathic pain, bipolar disorder or migraine; 2-(2-oxo-4-propyl-1-pyrrolidinyl)butanamide; neuroprotective agent UCB, S.A. (BE) 2008-04-15 US disclosed
US-7358276-B2 for treating neurological disorders such as epilepsy, neuropathic pain, bipolar disorder or migraine; 2-(2-oxo-4-propyl-1-pyrrolidinyl)butanamide; neuroprotective agent UCB, S.A. (BE) 2008-04-15 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 (4 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-20120190725-A1 INHIBITOR(S) OF TRANSPORTERS OR UPTAKE OF MONOAMINERGIC NEUROTRANSMITTERS SLC6A2, SLC18A2, SLC6A3 ALDH1A1 874/4885TSHR 192/4885RAB9A 621/4885
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 ALDH1A1 186/4885TSHR 3987/4885RAB9A 925/4885
US-20100222576-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 ALDH1A1 186/4885TSHR 3987/4885RAB9A 925/4885
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES CYP1B1, OGDH, CYP1A2 ALDH1A1 186/4885TSHR 3987/4885RAB9A 925/4885

“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.