SCHEMBL19831807

SCHEMBL19831807

CCOC(=O)C1CCN(C(=O)c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
GLA P06280 1/20 0.57
PARP10 Q53GL7 1/20 0.55
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.48

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
SCHEMBL12471194 0.82 ALDH1A1 (0.61) ALDH1A1POLBPKMGAAKMT2A
SCHEMBL12911161 0.82 TSHR (0.69) TSHRGLAPARP10NPC1RAB9A
SCHEMBL19829315 0.82 TSHR (0.69) TSHRGLAPARP10ALDH1A1NPC1
SCHEMBL19829316 0.81 TSHR (0.67) TSHRGLAPARP10NPC1RAB9A
SCHEMBL12472457 0.80 LTA4H (0.52) ALDH1A1POLB
SCHEMBL15919064 0.79 DRD2 (0.42) POLBPKMKMT2A
SCHEMBL7610899 0.79 GLA (0.61) TSHRGLAPARP10ALDH1A1NPC1
SCHEMBL5865527 0.77 STS (0.52) ALDH1A1NPC1RAB9A
SCHEMBL4468382 0.76 GAA (0.64) TSHRGLAALDH1A1NPC1POLB
SCHEMBL3339277 0.74 TSHR (0.67) TSHRGLAALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 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 (2 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-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 659/4885GLA 3374/4885PARP10 1599/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 TSHR 521/4885GLA 3222/4885PARP10 1601/4885

“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.