SCHEMBL18649489

SCHEMBL18649489

CC(C)(C)CC(C)(C)C(=O)c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
PKM P14618 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 2/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL24961123 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL13077892 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL18971802 0.80 RAB9A (0.56) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL193533 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL569032 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL6319718 0.73 ALDH1A1 (0.66) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL6647582 0.73 RAB9A (0.67) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL6275655 0.73 ALDH1A1 (1.00) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL28727291 0.72 SMN1; SMN2 (0.65) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL2170056 0.72 ALDH1A1 (0.64) ALDH1A1L3MBTL1LMNARAB9ANPC1

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-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 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-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 ALDH1A1 1317/4885L3MBTL1 753/4885LMNA 2112/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 ALDH1A1 1588/4885L3MBTL1 351/4885LMNA 3006/4885

“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.