Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570489

SCHEMBL4570489

SCHEMBL4570489

C#C[C@@H](O)CCCC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PDE4D Q08499 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
▸ MAPT P10636 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9644802 0.81 TSHR (0.52) KMT2AL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL8435186 0.79 CYP1A2 (0.57) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL3409801 0.79 LMNA (0.50) PGRADORA3PDE4DGAAMAPT
SCHEMBL12190163 0.77 CYP1A2 (0.47) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL2112334 0.77 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL2112335 0.77 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL2915704 0.77 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL25274584 0.76 TSHR (0.50) KMT2AL3MBTL1TSHRALDH1A1MEN1
SCHEMBL7971197 0.76 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL15154015 0.76 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2012-05-17 — — US disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 — — US disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 — — US disclosed
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
WO-2010091226-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
WO-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 — — WO disclosed
WO-2010039529-A2 COMPOSITIONS AND METHODS FOR THE TREAMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 — — 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 (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-20110245528-A1 THERAPEUTIC COMPOUNDS ALOX5, ALOX15B, ALOX12 CYP1A2 924/4885KMT2A 4285/4885POLB 4242/4885
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE ALOX15B, ALOX12, ALOX15 CYP1A2 439/4885KMT2A 4754/4885POLB 2293/4885
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION ALOX5, ALOX15B, ALOX12 CYP1A2 1130/4885KMT2A 4769/4885POLB 2969/4885

“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.