SCHEMBL2851936

SCHEMBL2851936

O=C(O)N[C@H](COC(F)F)C(=O)NCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2849843 0.89 CA12 (0.49) ALDH1A1TSHRHPGDPOLBMAPT
SCHEMBL12799320 0.84 CTSK (0.61) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2855929 0.81 CA12 (0.59) TSHRMAPT
SCHEMBL2851881 0.78 CA12 (0.41) HPGDMAPTLMNA
SCHEMBL2863206 0.76 KMT2A (0.50) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2865610 0.76 CA12 (0.47) ALDH1A1TSHRHPGDPOLBLMNA
SCHEMBL2857193 0.75 CA12 (0.46) ALDH1A1TSHRHPGDPOLBLMNA
SCHEMBL2857329 0.75 ANPEP (0.48) ALDH1A1POLB
SCHEMBL2858022 0.75 CA12 (0.49) ALDH1A1HPGDPOLB
SCHEMBL2857323 0.74 CA12 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US claimed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US claimed
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-8450336-B2 Use of D-serine derivatives for the treatment of anxiety disorders NPS PHARMACEUTICALS, INC (US) 2013-05-28 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 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 (3 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-20090005433-A1 Fluorinated Compounds CNR1, NPFFR1, AFF1 ALDH1A1 1176/4885TSHR 645/4885HPGD 3444/4885
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB ALDH1A1 1332/4885TSHR 225/4885HPGD 1422/4885
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB ALDH1A1 1317/4885TSHR 219/4885HPGD 1397/4885

“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.