SCHEMBL2037236

SCHEMBL2037236

O=C(c1c[nH]c2c(F)cccc12)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ MPO P05164 5/20 0.50
▸ GPR84 Q9NQS5 1/20 0.47
▸ PCSK9 Q8NBP7 2/20 0.47
▸ RAB9A P51151 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.44
▸ GUSB P08236 6/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ BRPF1 P55201 1/20 0.44

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
SCHEMBL2035484 0.83 GPR84 (0.53) MPOGPR84PCSK9RAB9AGUSB
SCHEMBL2036354 0.83 NR4A2 (0.60) PIM3MAPK1GUSBBRPF1
SCHEMBL7838694 0.83 PIM3 (0.58) PIM3MAPK1BRPF1
SCHEMBL4229520 0.83 BRPF1 (0.67) PIM3MAPK1RAB9ATPSAB1BRPF1
SCHEMBL30909242 0.80 MPO (0.57) PIM3MPOGPR84PCSK9RAB9A
SCHEMBL3563888 0.79 ALDH1A1 (0.60) PIM3MAPK1RAB9ABRPF1
SCHEMBL1559436 0.79 RAB9A (0.49) MPOGPR84PCSK9RAB9AGUSB
SCHEMBL28100554 0.77 GPR84 (0.51) MPOGPR84PCSK9RAB9AGUSB
SCHEMBL2034149 0.76 NR4A2 (0.70) PIM3MPOGPR84PCSK9RAB9A
SCHEMBL2005017 0.76 MAPK1 (0.74) PIM3MAPK1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 — — EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 — — US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 — — US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 — — US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 — — WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 — — 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 PIM3 1806/4885MAPK1 3381/4885MPO 431/4885

“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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