SCHEMBL2556472

SCHEMBL2556472

O=S(=O)(Nc1ccccn1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL14252963 0.81 TSHR (0.59) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL28468524 0.76 PTGS1 (0.45) PTGS1PTGS2SLC22A12
SCHEMBL5632154 0.75 TSHR (0.59) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL27673212 0.75 TSHR (0.59) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL1631053 0.75 TSHR (0.65) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL23308872 0.75 TSHR (0.59) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL2104486 0.75 TSHR (0.59) TSHRATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL20197168 0.74 PTGS1 (0.48) PTGS1PTGS2SLC22A12CA2
SCHEMBL18912216 0.74 CNR1 (0.41) KDM4EPTGS1PTGS2SLC22A12CA2
SCHEMBL30311835 0.74 CNR1 (0.41) KDM4EPTGS1PTGS2SLC22A12CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108539270-B Lithium secondary battery electrolyte and lithium secondary battery thereof 广州天赐高新材料股份有限公司 2020-09-11 CN claimed
CN-111263760-A Process for the preparation of 6- (2-hydroxy-2-methylpropoxy) -4- (6- (6- ((6-methoxypyridin-3-yl) methyl) -3, 6-diazabicyclo [3.1.1] hept-3-yl) pyridin-3-yl) pyrazolo [1, 5-a ] pyridine-3-carbonitrile 奥瑞生物药品公司 2020-06-09 CN claimed
EP-4543446-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT Alkermes, Inc. (US) 2025-04-30 EP disclosed
WO-2023249872-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
CN-115916791-A Crystalline RET inhibitors 罗索肿瘤学公司 2023-04-04 CN disclosed
CN-108539270-B Lithium secondary battery electrolyte and lithium secondary battery thereof 广州天赐高新材料股份有限公司 2020-09-11 CN disclosed
CN-111263760-A Process for the preparation of 6- (2-hydroxy-2-methylpropoxy) -4- (6- (6- ((6-methoxypyridin-3-yl) methyl) -3, 6-diazabicyclo [3.1.1] hept-3-yl) pyridin-3-yl) pyrazolo [1, 5-a ] pyridine-3-carbonitrile 奥瑞生物药品公司 2020-06-09 CN disclosed
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÁRL (CH) 2014-09-18 US disclosed
US-8829184-B2 Intermediates useful for the synthesis of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2014-09-09 US disclosed
EP-2751076-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES Spirogen Sàrl (CH) 2014-07-09 EP disclosed
WO-2013053872-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÀRL (CH) 2013-04-18 WO disclosed
EP-2558445-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES Spirogen Sàrl (CH) 2013-02-20 EP disclosed
US-20130035484-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-02-07 US disclosed
WO-2011128650-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-10-20 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 (5 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-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB TSHR 114/4885ATM 1257/4885KDM4E 3356/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 TSHR 3128/4885ATM 1319/4885KDM4E 2233/4885
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES ORC3, OXER1, SCO2 TSHR 1536/4885ATM 3361/4885KDM4E 3002/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 TSHR 3128/4885ATM 1319/4885KDM4E 2233/4885
US-20130035484-A1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES CYP11B2, CYP1B1, CYP11B1 TSHR 1336/4885ATM 3383/4885KDM4E 2413/4885

“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.