SCHEMBL21789897

SCHEMBL21789897

CC(C)Nc1cccc(OC(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.38
▸ KCNK3 O14649 3/20 0.37
▸ KCNK9 Q9NPC2 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ C1R P00736 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ANO1 Q5XXA6 1/20 0.32
▸ CFD P00746 1/20 0.32

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
SCHEMBL20047657 0.84 GAA (0.45) KCNK3KCNK9GAAEPHX2SLC40A1
SCHEMBL21893894 0.81 MPL (0.41) MPLKCNK3KCNK9GAAEPHX2
Hydrochloric Acid SCHEMBL28093603 0.79 MPL (0.40) MPLKCNK3KCNK9GAAEPHX2
SCHEMBL12263434 0.74 KCNK3 (0.49) MPLKCNK3KCNK9ALDH1A1HPGD
SCHEMBL19240448 0.74 KCNK3 (0.49) MPLKCNK3KCNK9ALDH1A1NPSR1
SCHEMBL17048148 0.72 TDP1 (0.38) ALDH1A1ATM
SCHEMBL29177412 0.72 GAA (0.44) KCNK3KCNK9GAAEPHX2RXFP1
SCHEMBL30806803 0.71 P2RX7 (0.44) MPLKCNK3KCNK9KDM4EALDH1A1
SCHEMBL20333865 0.71 KCNK3 (0.41) MPLKCNK3KCNK9KDM4EALDH1A1
SCHEMBL16953999 0.71 KCNK3 (0.41) MPLKCNK3KCNK9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 — — US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 — — US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 — — US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 — — 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH MPL 829/4885KCNK3 2054/4885KCNK9 2640/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MPL 256/4885KCNK3 2380/4885KCNK9 2299/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MPL 256/4885KCNK3 2380/4885KCNK9 2299/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MPL 256/4885KCNK3 2380/4885KCNK9 2299/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MPL 521/4885KCNK3 2180/4885KCNK9 1717/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MPL 256/4885KCNK3 2380/4885KCNK9 2299/4885

“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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