SCHEMBL5143535

SCHEMBL5143535

CCS(=O)(=O)Nc1ccccc1[O]

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.63
HPGD P15428 5/20 0.47
LMNA P02545 3/20 0.47
NR3C2 P08235 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR3C1 P04150 1/20 0.46
PARP14 Q460N5 1/20 0.45
KCNA5 P22460 1/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MRGPRX1 Q96LB2 4/20 0.42

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
SCHEMBL12768022 0.87 PSIP1 (0.73) PSIP1HPGDLMNANR3C2HTT
SCHEMBL10589966 0.83 PARP14 (0.51) PSIP1HPGDLMNAPARP14AR
SCHEMBL12962542 0.79 PSIP1 (0.63) PSIP1HTTSMN1; SMN2NR3C1PARP14
SCHEMBL17914522 0.79 L3MBTL1 (0.68) PSIP1HPGDLMNANR3C2NR3C1
SCHEMBL3915870 0.78 L3MBTL1 (0.62) HPGDNR3C2HTTNR3C1AR
SCHEMBL3712510 0.78 PSIP1 (1.00) PSIP1HPGDLMNANR3C2SMN1; SMN2
SCHEMBL11722241 0.78 PSIP1 (0.61) PSIP1HPGDLMNANR3C2HTT
SCHEMBL11406616 0.78 PSIP1 (0.61) PSIP1HPGDLMNANR3C2HTT
SCHEMBL1290833 0.78 PSIP1 (0.61) PSIP1HPGDLMNANR3C2HTT
SCHEMBL3059940 0.78 PSIP1 (0.61) PSIP1HPGDLMNANR3C2HTT

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-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 WO disclosed
EP-0199604-B1 PROCESSING METHOD FOR LIGHT-SENSITIVE SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1990-12-27 EP 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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH PSIP1 753/4885HPGD 9/4885LMNA 3747/4885

“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.