SCHEMBL19947209

SCHEMBL19947209

CCOC(=O)CC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FKBP1A P62942 2/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2041988 1.00 ALDH1A1 (0.40) ALDH1A1USP2ALOX15TDP1GABRA1
SCHEMBL13731844 0.87 FKBP1A (0.40) ALDH1A1USP2ALOX15TDP1L3MBTL1
SCHEMBL19947263 0.84 POLB (0.40) HRH3POLBTSHRL3MBTL1KMT2A
SCHEMBL19947264 0.84 POLB (0.40) HRH3POLBTSHRL3MBTL1KMT2A
SCHEMBL6350025 0.82 ATM (0.47) ALDH1A1LMNATSHRL3MBTL1FKBP1A
SCHEMBL16551790 0.82 ATM (0.47) ALDH1A1LMNATSHRL3MBTL1FKBP1A
SCHEMBL6921210 0.82 ATM (0.47) ALDH1A1LMNATSHRL3MBTL1FKBP1A
SCHEMBL28932688 0.82 HCRTR1 (0.49) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL2080992 0.79 ALDH1A1 (0.38) ALDH1A1USP2ALOX15TDP1POLB
SCHEMBL2080986 0.79 ALDH1A1 (0.38) ALDH1A1USP2ALOX15TDP1POLB

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-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALDH1A1 2109/4885USP2 3691/4885ALOX15 998/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2109/4885USP2 3691/4885ALOX15 998/4885

“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.