SCHEMBL5043896

SCHEMBL5043896

NSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 4/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
FBP1 P09467 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
SCHEMBL20997845 0.93 KIF11 (0.58) KIF11CA1CA2MAOB
SCHEMBL20072348 0.79 ALDH1A1 (0.43) KIF11ALDH1A1TSHRTAAR1HAO1
SCHEMBL2417142 0.78 HAO1 (0.53) KIF11ALDH1A1TSHRHTR3AHAO1
SCHEMBL944341 0.78 FBP1 (0.57) KIF11ALDH1A1TSHRTAAR1HAO1
SCHEMBL63468 0.76 ALDH1A1 (0.67) KIF11ALDH1A1TSHRTAAR1IDO1
SCHEMBL19996403 0.76 CES2 (0.48) KIF11ALDH1A1TSHRHAO1CES2
Fluoride SCHEMBL29094698 0.76 HAO1 (0.52) KIF11ALDH1A1TSHRHTR3AHAO1
SCHEMBL23182981 0.74 ALDH1A1 (0.43) KIF11ALDH1A1TSHRTAAR1HAO1
SCHEMBL5043657 0.74 ALDH1A1 (0.48) KIF11ALDH1A1TSHRCA1CA2
SCHEMBL7014603 0.74 ALDH1A1 (0.58) KIF11ALDH1A1TSHRHAO1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1721414-A Process for synthesizing 2-p-trifluoro toluene-4-methyl-5-thiazolyl ethyl formate UNIV ZHEJIANG (CN) 2006-01-18 CN claimed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-11415887-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
US-20220066319-A1 POSITIVE RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-03 US disclosed
US-20220026805-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-27 US disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-20170184962-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-29 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO disclosed
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
CN-1721414-A Process for synthesizing 2-p-trifluoro toluene-4-methyl-5-thiazolyl ethyl formate UNIV ZHEJIANG (CN) 2006-01-18 CN disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
WO-1999041239-A1 B CELL INHIBITORS NOVARTIS AG (CH) 1999-08-19 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 (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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R KIF11 3702/4885ALDH1A1 959/4885TSHR 98/4885

“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.