SCHEMBL16775313

SCHEMBL16775313

N#Cc1c(-c2ccc(C(F)(F)F)cc2)nc(SCC(=O)O)[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ POLB P06746 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ TNF P01375 1/20 0.60
▸ NOD2 Q9HC29 1/20 0.60
▸ NOD1 Q9Y239 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ BLM P54132 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ LDHA P00338 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ACMSD Q8TDX5 3/20 0.55

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
SCHEMBL16775312 0.99 CA12 (0.65) CA12CA1CA2CA9POLB
SCHEMBL16772467 0.86 MEN1 (0.72) CA12CA1CA2CA9POLB
SCHEMBL16772525 0.85 MEN1 (0.67) CA12CA1CA2CA9POLB
SCHEMBL16772397 0.84 MEN1 (0.66) CA12CA1CA2CA9POLB
SCHEMBL16772528 0.81 MEN1 (0.71) POLBMEN1KMT2ATNFNOD2
SCHEMBL16772557 0.79 MEN1 (0.69) POLBMEN1KMT2ATNFNOD2
SCHEMBL16772556 0.78 MEN1 (0.68) POLBMEN1KMT2ATNFNOD2
SCHEMBL16775350 0.77 MEN1 (0.66) CA12CA1CA2CA9POLB
SCHEMBL23850319 0.77 KMT2A (0.82) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL16772487 0.77 MEN1 (0.66) POLBMEN1KMT2ATNFNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 — — US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 — — 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A CA12 4801/4885CA1 4575/4885CA2 4533/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A CA12 4801/4885CA1 4575/4885CA2 4533/4885

“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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