SCHEMBL2677759

SCHEMBL2677759

CCC(C)(C)c1cc(C(N)=O)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RET P07949 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ SCD O00767 2/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL3809947 0.86 EGFR (0.36) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL5376092 0.83 HCRTR2 (0.35) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL14351779 0.82 SMN1; SMN2 (0.34) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL3709322 0.82 SIRT6 (0.36) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL1515627 0.82 ALDH1A1 (0.49) EGFRALDH1A1MAPK1L3MBTL1RET
Hydrochloric Acid SCHEMBL3712256 0.80 ALDH1A1 (0.48) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL24352894 0.79 RAB9A (0.43) EGFRALDH1A1MAPK1SMN1; SMN2HSP90AA1
SCHEMBL24939143 0.79 SMN1; SMN2 (0.38) EGFRALDH1A1MAPK1L3MBTL1RET
SCHEMBL12467195 0.74 KMT2A (0.42) ALDH1A1MAPK1L3MBTL1RETSMN1; SMN2
SCHEMBL2677760 0.74 MEN1 (0.31) EGFRMAPTMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 — — US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — 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 (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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 1401/4885ALDH1A1 1695/4885MAPK1 1130/4885

“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.

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