SCHEMBL2941476

SCHEMBL2941476

CCS(=O)(=O)c1ccccc1C1NCCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PKM P14618 1/20 0.33
PSIP1 O75475 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32

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
Hydrochloric Acid SCHEMBL2914109 0.99 TSHR (0.36) SLC1A2TSHRNPSR1MAPTADRA2A
SCHEMBL13613628 0.85 PKM (0.46) TSHRNPSR1MAPTPKMCYP1A2
SCHEMBL2914811 0.83 CDK7 (0.35) SLC1A2TSHRNPSR1ADRA2AADRA1D
SCHEMBL8263934 0.83 SLC1A2 (0.36) SLC1A2TSHRNPSR1MAPTPTGDR2
Hydrochloric Acid SCHEMBL2917269 0.82 TSHR (0.35) SLC1A2TSHRNPSR1ADRA2AADRA1D
Hydrochloric Acid SCHEMBL2529689 0.82 TSHR (0.37) SLC1A2TSHRNPSR1PTGDR2CYP2C19
Hydrochloric Acid SCHEMBL2527292 0.77 ALDH1A1 (0.36) MAPT
SCHEMBL2914498 0.76 CYP2D6 (0.37) SLC1A2TSHRNPSR1MAPTADRA2A
Hydrochloric Acid SCHEMBL3073734 0.76 APEX1 (0.35) TSHR
SCHEMBL8263932 0.73 PKM (0.44) TSHRNPSR1MAPTPKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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 (1 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 SLC1A2 4184/4885TSHR 4030/4885NPSR1 3065/4885

“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.