SCHEMBL17465671

SCHEMBL17465671

CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2B Q14289 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ ACLY P53396 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40

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
SCHEMBL17465670 0.90 PTK2B (0.46) PTK2BNPSR1SMN1; SMN2KDM4EKMT2A
SCHEMBL3532645 0.88 NPSR1 (0.65) PTK2BNPSR1SMN1; SMN2KDM4EHTT
SCHEMBL15847679 0.83 MAPT (0.57) NPSR1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL15847681 0.83 MAPT (0.57) NPSR1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL15847979 0.83 MAPT (0.57) NPSR1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL18574475 0.79 PTK2B (0.66) PTK2BNPSR1SMN1; SMN2HTTLMNA
SCHEMBL26144894 0.77 PTK2B (0.62) PTK2BNPSR1SMN1; SMN2HTTLMNA
SCHEMBL16197361 0.76 TDP1 (0.55) SMN1; SMN2KMT2AHTTALDH1A1LMNA
SCHEMBL15847845 0.75 KMT2A (0.64) SMN1; SMN2KDM4EKMT2AHTTALDH1A1
SCHEMBL14485236 0.75 KMT2A (0.64) SMN1; SMN2KDM4EKMT2AHTTALDH1A1

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-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 PTK2B 3817/4885NPSR1 1250/4885SMN1; SMN2 4553/4885

“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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