SCHEMBL3661989

SCHEMBL3661989

CN[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
ENPEP Q07075 2/20 0.36
TGFBR1 P36897 3/20 0.35
CASR P41180 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 3/20 0.33
NAALAD2 Q9Y3Q0 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL13213154 1.00 SLC22A6 (0.38) SLC22A6ENPEPTGFBR1CASRKDM4E
SCHEMBL13930947 0.82 SLC22A6 (0.38) SLC22A6
SCHEMBL25436589 0.80 SLC22A6 (0.37) SLC22A6ENPEP
SCHEMBL30528195 0.80 SLC22A6 (0.37) SLC22A6ENPEP
SCHEMBL12256015 0.78 CA14 (0.38) SLC22A6RECQLSMN1; SMN2MMP13MEN1
SCHEMBL26714031 0.78 CA14 (0.38) SLC22A6RECQLSMN1; SMN2MMP13MEN1
SCHEMBL27346663 0.78 SLC22A6 (0.35) SLC22A6ENPEP
SCHEMBL3261892 0.78 SMN1; SMN2 (0.55) ENPEPTGFBR1KDM4EMAPTTHRB
SCHEMBL11156300 0.78 SMN1; SMN2 (0.55) ENPEPTGFBR1KDM4EMAPTTHRB
SCHEMBL11156303 0.78 SMN1; SMN2 (0.55) ENPEPTGFBR1KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN claimed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
CN-112239418-B Preparation method of retinol compound and sodium salt thereof 上海现代药物制剂工程研究中心有限公司 2023-07-07 CN disclosed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
EP-2231189-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES Ardenia Investments Ltd. (GB) 2010-09-29 EP disclosed
WO-2009078802-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES ARDENIA INVESTMENTS, LTD. (GB) 2009-06-25 WO disclosed
WO-2009078754-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES ARDENIA INVESTMENTS, LTD. (GB) 2009-06-25 WO disclosed
WO-2004097427-A1 METHODS FOR PEPTIDE ANALYSIS USING MASS SPECTROMETRY LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2004-11-11 WO 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-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 SLC22A6 2705/4885ENPEP 2346/4885TGFBR1 4663/4885

“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.