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Sugi Predict / Compounds / SCHEMBL12985302

SCHEMBL12985302

SCHEMBL12985302

CCC(C)OC(=O)C(C(=O)O)c1ncc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ PTGS2 P35354 3/20 0.34
▸ AGBL2 Q5U5Z8 1/20 0.34
▸ MME P08473 2/20 0.33
▸ ACE P12821 2/20 0.33
▸ CPA1 P15085 2/20 0.33
▸ ACE2 Q9BYF1 2/20 0.33
▸ GABRA1 P14867 3/20 0.33
▸ GABRG2 P18507 3/20 0.33
▸ GABRB3 P28472 3/20 0.33
▸ GABRA5 P31644 3/20 0.33
▸ GABRA3 P34903 3/20 0.33
▸ GABRA2 P47869 3/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.31

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
SCHEMBL4074821 0.80 MAPT (0.39) MAPTPTGS2GABRA1GABRG2GABRB3
SCHEMBL940332 0.77 MAPK1 (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL12985296 0.76 MEN1 (0.44) MAPTAGBL2POLBS1PR1S1PR3
SCHEMBL18335086 0.75 MAPK1 (0.38) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL896777 0.75 AKR1C3 (0.44) AGBL2PTGER4AKR1C3AKR1C2
SCHEMBL21862847 0.73 MAPK1 (0.51) AGBL2PTGER4POLBS1PR1S1PR3
SCHEMBL6645257 0.72 SMN1; SMN2 (0.41) MAPTPOLB
SCHEMBL4534445 0.72 MAPT (0.37) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL5772798 0.72 MAPT (0.35) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL4617811 0.72 ALDH1A1 (0.36) MAPT

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
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 — — EP disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 — — US disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 — — EP disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 — — WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 — — 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPT 1597/4885PTGS2 3596/4885AGBL2 2260/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK MAPT 1597/4885PTGS2 3596/4885AGBL2 2260/4885

“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.