SCHEMBL4728438

SCHEMBL4728438

O=C(O)C[C@H](NC(=O)N1CCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
CA2 P00918 3/20 0.43
CA4 P22748 1/20 0.43
POLB P06746 3/20 0.42
GAA P10253 2/20 0.41
EPHX2 P34913 1/20 0.37
PIN1 Q13526 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
RRM1 P23921 1/20 0.35
RRM2 P31350 1/20 0.35
RRM2B Q7LG56 1/20 0.35

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
SCHEMBL1038171 0.84 ECE1 (0.42) CA2POLBGAAPIN1ALDH1A1
SCHEMBL9852719 0.84 SMN1; SMN2 (0.53) POLBGAAPKMSMN1; SMN2MAPT
SCHEMBL2861077 0.81 TGFBR1 (0.44) MMEPOLBGAAEPHX2PKM
SCHEMBL1604394 0.81 FOLH1 (0.55) GAAEPHX2
SCHEMBL7341199 0.77 GAA (0.62) POLBGAAMAPTALDH1A1
SCHEMBL3966807 0.77 GAA (0.62) POLBGAAMAPTALDH1A1
SCHEMBL7040252 0.77 GAA (0.62) POLBGAAMAPTALDH1A1
SCHEMBL6874696 0.75 CPB2 (0.55) POLB
SCHEMBL7320484 0.74 POLB (0.75) MMEPOLBGAAALDH1A1HSD17B10
SCHEMBL16151790 0.74 GAA (0.39) POLBGAAPKMSMN1; SMN2ALDH1A1

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-11124693-B2 Hydroxyalkylurethane kinetic hydrate inhibitors INDORAMA VENTURES OXIDES LLC (US) 2021-09-21 US disclosed
EP-3452532-B1 SUCCINIMIDE-BASED COPOLYMERS AND USE AS HYDRATE INHIBITORS SAUDI ARABIAN OIL CO (SA) 2021-03-24 EP disclosed
WO-2018160306-A1 HYDROXYALKYLURETHANE KINETIC HYDRATE INHIBITORS HUNTSMAN PETROCHEMICAL LLC (US) 2018-09-07 WO disclosed
CN-104039918-B Use the method that amidine and guanidine suppression gas hydrate are formed ECO INHIBITORS A/S (NO) 2016-11-30 CN disclosed
US-9303201-B2 Method of inhibiting the formation of gas hydrates using amidines and guanidines ECO INHIBITORS AS (NO) 2016-04-05 US disclosed
US-20140256599-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMIDINES AND GUANIDINES ECO INHIBITORS AS (NO) 2014-09-11 US disclosed
WO-2013053770-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMINE OXIDES ECO INHIBITORS AS (NO) 2013-04-18 WO disclosed
WO-2013053766-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMIDINES AND GUANIDINES ECO INHIBITORS AS (NO) 2013-04-18 WO disclosed
WO-2008023989-A1 ADDITIVES FOR INHIBITING GAS HYDRATE FORMATION UNIVERSITETET I STAVANGER (NO) 2008-02-28 WO disclosed
EP-0828778-B1 CLATHRATE HYDRATE INHIBITOR AND METHOD OF INHIBITING THE FORMATION OF CLATHRATE HYDRATES USING IT NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6319971-B1 CONTROLLING GAS HYDRATE FORMATION, ESPECIALLY IN PIPES AND OIL AND GAS WELLS BY USING A POLYMER MIXTURE THAT PREVENTS HYDRATE NUCLEATION; ONE POLYMER'S WEIGHT BOLTZMANN FACTOR IS HIGHER THAN THE OTHER RF-PROCOM A/S (NO) 2001-11-20 US disclosed
US-6232273-B1 MACROMOLECULAR COMPOUND WITH NITROGEN-CONTAINING RING PENDANT TO THE POLYMER CHAIN, SUCH AS POLYMER OF (METH)ACRYLOYL PYRROLIDINE, PYRROLIDINOCARBONYLETHYL (METH)ACRYLATE, 2-OXO-PYRROLIDINO-ETHYL (METH)ACRYLATE, ETC. NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-15 US disclosed
WO-1998053007-A1 COMPOSITION FOR CONTROLLING CLATHRATE HYDRATES AND A METHOD FOR CONTROLLING CLATHRATE HYDRATE FORMATION RF-PROCOM A/S (NO) 1998-11-26 WO disclosed
EP-0828778-A1 CLATHRATE HYDRATE INHIBITOR AND METHOD OF INHIBITING THE FORMATION OF CLATHRATE HYDRATES USING IT NIPPON SHOKUBAI CO., LTD. (JP) 1998-03-18 EP disclosed
WO-1996038492-A1 CLATHRATE HYDRATE INHIBITOR AND METHOD OF INHIBITING THE FORMATION OF CLATHRATE HYDRATES USING IT NIPPON SHOKUBAI CO., LTD. (JP) 1996-12-05 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 (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-20140256599-A1 METHOD OF INHIBITING THE FORMATION OF GAS HYDRATES USING AMIDINES AND GUANIDINES MAGI3, GEMIN5, GCG MME 879/4885CA2 138/4885CA4 239/4885
US-11124693-B2 Hydroxyalkylurethane kinetic hydrate inhibitors HDHD5, UNG, OGG1 MME 1142/4885CA2 535/4885CA4 953/4885

“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.