SCHEMBL20522110

SCHEMBL20522110

O=C(O)c1cc(F)ccc1OCCF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
PTK2B Q14289 1/20 0.47
KEAP1 Q14145 1/20 0.47
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
PTPN11 Q06124 4/20 0.43
S1PR3 Q99500 1/20 0.43
SYK P43405 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FOLH1 Q04609 1/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL31497192 1.00 PKM (0.47) PKMALDH1A1KMT2APTK2BKEAP1
SCHEMBL12466431 0.87 ALDH1A1 (0.47) PKMALDH1A1KMT2APTK2BKEAP1
SCHEMBL25527327 0.85 PKM (0.46) PKMALDH1A1KMT2APTK2BKEAP1
SCHEMBL7959141 0.85 PTPN11 (0.51) PKMALDH1A1KMT2APTK2BKEAP1
SCHEMBL1505106 0.84 ALDH1A1 (0.49) PKMALDH1A1KMT2APTK2BKEAP1
SCHEMBL2449519 0.83 PTPN11 (0.63) ALDH1A1KMT2APTPN11S1PR3PTPN1
SCHEMBL20521893 0.82 TSHR (0.50) ALDH1A1KMT2APTPN11S1PR3SYK
SCHEMBL31497228 0.82 GAA (0.61) ALDH1A1HTR2AHTR2CGAATSHR
SCHEMBL987385 0.82 GAA (0.61) ALDH1A1HTR2AHTR2CGAATSHR
SCHEMBL4138843 0.81 PKM (0.71) PKMKEAP1

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-12630541-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2026-05-19 US disclosed
US-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2022-03-24 US disclosed
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2021-12-28 US disclosed
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. 2020-04-09 US disclosed
EP-3601274-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 Perenna Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
CN-110709394-A Compounds useful as ALCAT1 inhibitors 中美博瑞纳制药有限公司 2020-01-17 CN disclosed
WO-2018178304-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 PERENNA PHARMACEUTICALS, INC. (US) 2018-10-04 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 (4 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-20220089582-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 PKM 3051/4885ALDH1A1 65/4885KMT2A 866/4885
US-12630541-B2 Compounds useful as inhibitors of ALCAT 1 LCLAT1, LPCAT1, ACAT2 PKM 2614/4885ALDH1A1 511/4885KMT2A 1295/4885
US-11208404-B2 Compounds useful as inhibitors of ALCAT 1 ACAT1, ACAT2, SLC33A1 PKM 3051/4885ALDH1A1 65/4885KMT2A 866/4885
US-20200109136-A1 COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1 ACAT1, ACAT2, SLC33A1 PKM 3051/4885ALDH1A1 65/4885KMT2A 866/4885

“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.