SCHEMBL3248740

SCHEMBL3248740

COC(=O)c1cccc(OCCCF)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
KMT2A Q03164 1/20 0.51
SMPD1 P17405 3/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
TP53 P04637 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48

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
SCHEMBL8002994 0.92 MRGPRX4 (0.57) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3542926 0.88 LOXL2 (0.56) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6987514 0.87 LOXL2 (0.55) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5275584 0.87 LOXL2 (0.55) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2087816 0.86 ALDH1A1 (0.56) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6811204 0.86 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27825460 0.86 CYP4F2 (0.60) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31536904 0.86 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26999500 0.86 LOXL2 (0.58) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3489393 0.86 ALDH1A1 (0.56) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 US disclosed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 US disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MRGPRX4 3715/4885ALDH1A1 1494/4885CYP1A2 1902/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MRGPRX4 3715/4885ALDH1A1 1494/4885CYP1A2 1902/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP MRGPRX4 3715/4885ALDH1A1 1494/4885CYP1A2 1902/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP MRGPRX4 3715/4885ALDH1A1 1494/4885CYP1A2 1902/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP MRGPRX4 3715/4885ALDH1A1 1494/4885CYP1A2 1902/4885
US-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 MRGPRX4 2498/4885ALDH1A1 4121/4885CYP1A2 4562/4885

“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.