SCHEMBL3518163

SCHEMBL3518163

C[U]n1nnc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.48
▸ KEAP1 Q14145 1/20 0.48
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.44
▸ KCNMA1 Q12791 3/20 0.44
▸ DGAT1 O75907 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ MGAM O43451 1/20 0.38

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
SCHEMBL3515113 0.93 SLC9A1 (0.55) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL628179 0.71 SLC9A1 (0.48) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL29788159 0.68 SLC9A1 (0.57) SLC9A1KEAP1MAPTPOLBKCNMA1
SCHEMBL5052035 0.68 SLC9A1 (0.44) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL29720118 0.66 SLC9A1 (1.00) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL11959496 0.66 SLC9A1 (0.56) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL170155 0.66 SLC9A1 (1.00) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL11044976 0.66 SLC9A1 (0.56) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL2820092 0.66 SLC9A1 (0.50) SLC9A1KEAP1MAPTPOLBMAPK1
SCHEMBL3072391 0.65 SLC9A1 (0.60) SLC9A1KEAP1MAPTPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292436-A1 METHOD FOR PRODUCING BIVALIRUDIN SHANGHAI AMBIOPHARM, INC. (CN) 2010-11-18 — — US claimed
US-20170029467-A1 METHOD OF PRODUCING BIVALIRUDIN AMBIOPHARM, INC. 2017-02-02 — — US disclosed
US-20110319594-A1 METHOD FOR PRODUCING BIVALIRUDIN SHANGHAI AMBIOPHARM, INC. (CN) 2011-12-29 — — US disclosed
US-20100292436-A1 METHOD FOR PRODUCING BIVALIRUDIN SHANGHAI AMBIOPHARM, INC. (CN) 2010-11-18 — — 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 (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-20110319594-A1 METHOD FOR PRODUCING BIVALIRUDIN ARGLU1, SERPINC1, PSMA6 SLC9A1 4311/4885KEAP1 3296/4885MAPT 1561/4885

“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.

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