SCHEMBL17140441

SCHEMBL17140441

Cc1cccc(C(=O)N[C@@H](C(=O)O)C2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CTSL P07711 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
PYGL P06737 7/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.51
CYP2C9 P11712 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ENPP2 Q13822 1/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 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
SCHEMBL18973019 1.00 NPC1 (0.63) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL17148432 0.87 ENPP2 (0.56) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL21274424 0.83 CCR1 (0.56) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL21274426 0.83 CCR1 (0.56) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL5666371 0.77 RAB9A (1.00) NPC1RAB9AKMT2AUSP2SMN1; SMN2
SCHEMBL15787091 0.77 PYGL (0.54) NPC1RAB9ACTSLPYGLKMT2A
SCHEMBL5195691 0.77 PYGL (0.53) NPC1RAB9APYGLCYP2C9
SCHEMBL5195696 0.77 PYGL (0.53) NPC1RAB9APYGLCYP2C9
SCHEMBL21274874 0.77 CCR1 (0.49) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL21274876 0.77 CCR1 (0.49) NPC1RAB9ACTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
CN-107106559-A Substituted spirocyclic inhibitors of autotaxin X-RX股份有限公司 2017-08-29 CN disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
EP-3125895-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX, Inc. (US) 2017-02-08 EP disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 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-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 NPC1 111/4885RAB9A 2131/4885CTSL 968/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 NPC1 156/4885RAB9A 2122/4885CTSL 770/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 NPC1 156/4885RAB9A 2122/4885CTSL 770/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 NPC1 111/4885RAB9A 2131/4885CTSL 968/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 NPC1 111/4885RAB9A 2131/4885CTSL 968/4885

“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.