SCHEMBL17190060

SCHEMBL17190060

Nc1ccc(C(=O)NCCCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
LMNA P02545 1/20 0.47
FABP4 P15090 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HIF1A Q16665 2/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44

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
SCHEMBL8058352 0.87 HTT (0.56) CA1CA2CA12CA3CA4
SCHEMBL17190063 0.84 HTT (0.48) CA1CA2CA12CA3CA4
SCHEMBL8054403 0.83 MAPT (0.47) CA1CA2CA12CA3CA4
SCHEMBL16545132 0.80 MAPK1 (0.55) CA1CA2CA12CA3CA4
SCHEMBL11416343 0.80 KMT2A (0.59) LMNAMEN1KMT2AHIF1AMAPT
SCHEMBL21408389 0.77 MAPT (0.55) MEN1KMT2AHIF1AMAPTTHRB
SCHEMBL6263089 0.76 MAPK1 (0.72) CA1CA2LMNAFABP4MAPK1
SCHEMBL23720570 0.75 KDM4E (0.57) CA1CA2MAPK1MEN1KMT2A
SCHEMBL9576605 0.75 LMNA (0.62) CA1CA2LMNAFABP4MAPK1
SCHEMBL14395879 0.75 P2RX7 (0.53) CA1CA2CA12CA3CA4

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-9782493-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-10-10 US disclosed
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2017-09-14 US disclosed
US-9636413-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-05-02 US disclosed
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2016-12-15 US disclosed
US-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2016-12-15 US disclosed
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 US disclosed
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2015-10-22 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 (5 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-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CA1 484/4885CA2 846/4885CA12 34/4885
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CA1 484/4885CA2 846/4885CA12 34/4885
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CA1 484/4885CA2 846/4885CA12 34/4885
US-20170258932-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CA1 484/4885CA2 846/4885CA12 34/4885
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 CA1 484/4885CA2 846/4885CA12 34/4885

“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.