SCHEMBL3918852

SCHEMBL3918852

CCOC(=O)[C@@H](N)C(C)C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
METAP2 P50579 4/20 0.37
METAP1 P53582 3/20 0.37
CAD P27708 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL3918851 1.00 ALOX15 (0.44) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
SCHEMBL196141 0.98 ALOX15 (0.46) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
SCHEMBL6389387 0.98 ALOX15 (0.46) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
SCHEMBL135322 0.98 ALOX15 (0.46) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL6389383 0.95 ALOX15 (0.44) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL138333 0.95 ALOX15 (0.44) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL135321 0.95 ALOX15 (0.44) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL6846658 0.93 ALOX15 (0.42) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL20267442 0.93 ALOX15 (0.42) ALOX15SLC7A5ALDH1A1LMNAHSD17B10
SCHEMBL8758723 0.87 ALOX15 (0.38) ALOX15SLC7A5ALDH1A1LMNAHSD17B10

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
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US disclosed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US disclosed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 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-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALOX15 1173/4885SLC7A5 2801/4885ALDH1A1 1435/4885

“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.