SCHEMBL6464987

SCHEMBL6464987

CCCCCC(NC(C)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.57
SIRT6 Q8N6T7 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GNPAT O15228 1/20 0.51
SLC6A5 Q9Y345 2/20 0.49
FOLH1 Q04609 4/20 0.49
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
LCK P06239 1/20 0.47

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
SCHEMBL26222742 1.00 NOD1 (0.57) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL4609045 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10600983 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10602700 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10599977 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10603414 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10599643 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL10603409 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL21801849 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; SMN2
SCHEMBL5982247 0.98 NOD1 (0.60) NOD1SIRT6SIRT1MAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2016-07-28 US disclosed
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2015-05-28 US disclosed
US-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 US disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP 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 (4 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 NOD1 1480/4885SIRT6 3951/4885SIRT1 4741/4885
US-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS FPR1, FPR3, FPR2 NOD1 29/4885SIRT6 4495/4885SIRT1 3816/4885
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF GAA, GBA3, GBA1 NOD1 2608/4885SIRT6 2484/4885SIRT1 3020/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 NOD1 3523/4885SIRT6 2495/4885SIRT1 3931/4885

“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.