SCHEMBL16445697

SCHEMBL16445697

N[C@H](COCc1ccccc1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.61
DYRK1A Q13627 1/20 0.57
CSNK1D P48730 7/20 0.56
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CASR P41180 1/20 0.49
SCD O00767 1/20 0.49

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
SCHEMBL15281306 1.00 ACP1 (0.61) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL16444785 1.00 ACP1 (0.61) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL16445397 0.92 DYRK1A (0.56) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL16445401 0.92 DYRK1A (0.56) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL18154205 0.92 CSNK1D (0.56) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL18154206 0.92 CSNK1D (0.56) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL18154386 0.92 CSNK1D (0.56) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL18154485 0.90 DYRK1A (0.52) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL30796534 0.90 DYRK1A (0.52) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B
SCHEMBL18154420 0.90 DYRK1A (0.52) ACP1DYRK1ACSNK1DCSNK2A2CSNK2B

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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2019-07-23 US claimed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US claimed
US-20150148329-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-05-28 US claimed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 US claimed
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-06-29 US disclosed
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2022-03-10 US disclosed
US-20210078962-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-03-18 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 (6 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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, CYP3A5, UGT1A1 ACP1 3901/4885DYRK1A 4244/4885CSNK1D 2698/4885
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ACP1 932/4885DYRK1A 3437/4885CSNK1D 1707/4885
US-20210078962-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ACP1 932/4885DYRK1A 3437/4885CSNK1D 1707/4885
US-20150148329-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 ACP1 3901/4885DYRK1A 4244/4885CSNK1D 2698/4885
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ACP1 932/4885DYRK1A 3437/4885CSNK1D 1707/4885
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 ACP1 3901/4885DYRK1A 4244/4885CSNK1D 2698/4885

“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.