SCHEMBL22361985

SCHEMBL22361985

C[C@H](CC(=O)O)Sc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
TSHR P16473 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
SCHEMBL11637842 1.00 FFAR1 (0.45) FFAR1CPA1CPB1CPA3CPB2
SCHEMBL12240275 0.85 KMT2A (0.53) FFAR1L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL8101844 0.83 KMT2A (0.51) L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3465503 0.83 HTT (0.56) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL22714422 0.83 MTNR1A (0.42) KDM4ESMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL11637955 0.82 KCNA5 (0.44) L3MBTL1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16333147 0.82 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12471016 0.81 ALDH1A1 (0.46) FFAR1CPA3L3MBTL1ALDH1A1KDM4E
SCHEMBL14557234 0.80 ALDH1A1 (0.53) FFAR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL12264121 0.80 KMT2A (0.47) FFAR1L3MBTL1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384094-B2 Chiral auxiliaries and uses thereof Greatrex, Ben (AU) 2022-07-12 US disclosed
US-20200270267-A1 CHIRAL AUXILIARIES AND USES THEREOF UNIVERSITY OF NEW ENGLAND (AU) 2020-08-27 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-11384094-B2 Chiral auxiliaries and uses thereof PIN1, CRY1, PIN4 FFAR1 4708/4885CPA1 2092/4885CPB1 1069/4885
US-20200270267-A1 CHIRAL AUXILIARIES AND USES THEREOF PIN1, CRY1, PIN4 FFAR1 4708/4885CPA1 2092/4885CPB1 1069/4885

“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.