SCHEMBL5226832

SCHEMBL5226832

CCC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 2/20 0.59
RAB9A P51151 2/20 0.59
TDP1 Q9NUW8 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.55
FUCA1 P04066 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL30381367 1.00 PKM (0.60) PKMHTTPOLBRAB9ATDP1
SCHEMBL13018932 0.86 SMN1; SMN2 (0.59) PKMHTTPOLBTDP1CTDSP1
SCHEMBL29268504 0.84 RAB9A (0.60) PKMHTTPOLBRAB9ATDP1
SCHEMBL19464682 0.83 ALDH1A1 (0.60) POLBRAB9ATDP1MEN1KMT2A
SCHEMBL21765907 0.83 TSHR (0.51) PKMHTTPOLBRAB9AMEN1
SCHEMBL30938481 0.82 RAB9A (0.59) PKMHTTPOLBRAB9ATDP1
SCHEMBL6036198 0.82 RAB9A (0.59) PKMHTTPOLBRAB9ATDP1
SCHEMBL263278 0.82 RAB9A (0.59) PKMHTTPOLBRAB9ATDP1
SCHEMBL30986310 0.82 RAB9A (0.59) PKMHTTPOLBRAB9ATDP1
SCHEMBL4254892 0.82 RAB9A (0.59) PKMHTTPOLBRAB9ATDP1

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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP 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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT PKM 2975/4885HTT 3316/4885POLB 1902/4885

“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.