SCHEMBL5729617

SCHEMBL5729617

NCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ LOXL2 Q9Y4K0 3/20 0.43
▸ PTPN1 P18031 2/20 0.41
▸ PTPRZ1 P23471 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CETP P11597 2/20 0.40
▸ NOS3 P29474 3/20 0.40
▸ NOS1 P29475 3/20 0.40
▸ NOS2 P35228 3/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
Hydrochloric Acid SCHEMBL30580130 0.98 PNMT (0.42) PNMTENPP2LOXL2PTPN1PTPRZ1
Hydrochloric Acid SCHEMBL25368843 0.98 PNMT (0.42) PNMTENPP2LOXL2PTPN1PTPRZ1
SCHEMBL4039392 0.81 CETP (0.42) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL934510 0.81 PTPRZ1 (0.41) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL7052463 0.81 PTPRZ1 (0.41) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL12300586 0.81 CETP (0.41) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL2692232 0.81 CETP (0.42) ENPP2PTPN1PTPRZ1KDM4EALDH1A1
SCHEMBL5422754 0.81 PTPRZ1 (0.41) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL3278395 0.81 CETP (0.42) PTPN1PTPRZ1KDM4EALDH1A1TDP1
SCHEMBL1146178 0.79 PTPRZ1 (0.61) LOXL2PTPN1PTPRZ1KDM4EALDH1A1

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
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 — — EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 — — EP disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 — — EP disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 — — EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 — — US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 — — US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 — — WO disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 — — US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 — — EP 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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 PNMT 2977/4885ENPP2 555/4885LOXL2 2528/4885

“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.

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