SCHEMBL17191900

SCHEMBL17191900

CCn1nc(C(=O)NC(C)(C)C)c(=O)c2cc(O)c(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ SRC P12931 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ SSTR4 P31391 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17193027 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL9319737 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL14842265 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL14845174 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATSHRBLM
Hydrochloric Acid SCHEMBL11012829 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11012825 0.81 KDM4E (0.51) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL17191906 0.77 SRC (0.42) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL15680418 0.75 ADORA2A (0.54) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL14854366 0.74 ESR1 (0.44) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL19426204 0.71 SRC (0.42) ALDH1A1KDM4ELMNATSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 — — US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ALDH1A1 1437/4885KDM4E 1724/4885LMNA 2931/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ALDH1A1 3320/4885KDM4E 2208/4885LMNA 3555/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL ALDH1A1 1437/4885KDM4E 1724/4885LMNA 2931/4885

“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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