SCHEMBL17191889

SCHEMBL17191889

Cc1cc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 9/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ MAPT P10636 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
SCHEMBL17192058 0.91 CFTR (0.46) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL17191882 0.76 POLB (0.43) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL18088275 0.75 KDM4E (0.54) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL17193011 0.75 POLB (0.47) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL17191883 0.73 POLB (0.43) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL19420588 0.73 MAOB (0.43) KDM4EPOLBLMNAALDH1A1TP53
SCHEMBL17191941 0.69 ACHE (0.37) CFTRSLC6A2KDM4EHSD17B10LMNA
SCHEMBL15680180 0.68 SRC (0.42) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL15730605 0.68 ATM (0.43) KDM4EMAPK1HSD17B10ALDH1A1TP53
SCHEMBL17191899 0.68 DYRK1A (0.46) KDM4EMAPK1SMN1; SMN2

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-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 (2 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 CFTR 599/4885ADORA3 4314/4885ADRB3 3990/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 CFTR 119/4885ADORA3 3698/4885ADRB3 2479/4885

“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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