SCHEMBL5378544

SCHEMBL5378544

O=C(O)CCC(=O)c1ccc(F)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.48
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 3/20 0.47
RAB9A P51151 2/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP5 P45974 2/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL22097341 0.86 KMT2A (0.49) KMT2ANR4A2PKMTSHRCYP1A2
SCHEMBL727030 0.84 CES2 (0.55) KMT2ANR4A2PKMTSHRCYP1A2
SCHEMBL22089815 0.81 KMT2A (0.44) KMT2ATSHRCYP1A2LMNAALDH1A1
SCHEMBL11632317 0.81 KMT2A (0.50) KMT2ANR4A2PKMTSHRCYP1A2
SCHEMBL28037289 0.80 CES2 (0.41) CYP1A2RAB9ACYP2C19HPGDNPC1
SCHEMBL246840 0.80 ACHE (0.42) RAB9AALDH1A1NPC1
SCHEMBL31149832 0.80 PTPN1 (0.57) RAB9ANPC1
SCHEMBL3162903 0.80 PTPN1 (0.57) RAB9ANPC1
SCHEMBL2555281 0.79 MAOB (0.40) RAB9AHDAC6NPC1
SCHEMBL11739448 0.79 KMT2A (0.58) KMT2ANR4A2PKMTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof SHANGHAI UNIVERSITY OF MEDICINE & HEALTH SCIENCES (CN) 2024-12-10 US claimed
US-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI UNIVERSITY OF MEDICINE&HEALTH SCIENCES (CN) 2022-03-10 US claimed
WO-2020119206-A1 RADIOACTIVE IODINE-LABELLED LAROTRECTINIB COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海健康医学院 2020-06-18 WO claimed
CN-109608464-A A kind of radioiodination Larotrectinib compound and its preparation method and application 上海健康医学院 2019-04-12 CN claimed
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof SHANGHAI UNIVERSITY OF MEDICINE & HEALTH SCIENCES (CN) 2024-12-10 US disclosed
US-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI UNIVERSITY OF MEDICINE&HEALTH SCIENCES (CN) 2022-03-10 US disclosed
WO-2020119206-A1 RADIOACTIVE IODINE-LABELLED LAROTRECTINIB COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海健康医学院 2020-06-18 WO disclosed
WO-2020119206-A1 RADIOACTIVE IODINE-LABELLED LAROTRECTINIB COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海健康医学院 2020-06-18 WO disclosed
CN-109608464-A A kind of radioiodination Larotrectinib compound and its preparation method and application 上海健康医学院 2019-04-12 CN disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
EP-1228060-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001032649-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 WO disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 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 (3 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-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF IGF1R, TSHR, TRHR KMT2A 4480/4885NR4A2 1030/4885PKM 2744/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 KMT2A 4461/4885NR4A2 867/4885PKM 3514/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR KMT2A 4480/4885NR4A2 1030/4885PKM 2744/4885

“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.